Product OPENEYE NAME: S-(8-quinolyl) N-(cyanomethyl)carbamothioate
CAS Name: N-(cyanomethyl)carbamothioic acid S-(8-quinolinyl) ester
IUPAC NAME: S-quinolin-8-yl N-(cyanomethyl)carbamothioate
SYSTEMATIC NAME: S-quinolin-8-yl N-(cyanomethyl)carbamothioate
MOLECULAR FORMULA: C12H9N3OS
MOLECULAR WEIGHT: 243.28436
SMILES: C1=CC2=C(C(=C1)SC(=O)NCC#N)N=CC=C2
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Product OPENEYE NAME: N-pentylundecanamide
CAS Name: N-pentylundecanamide
IUPAC NAME: N-pentylundecanamide
SYSTEMATIC NAME: N-pentylundecanamide
MOLECULAR FORMULA: C16H33NO
MOLECULAR WEIGHT: 255.43932
SMILES: CCCCCCCCCCC(=O)NCCCCC
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Product OPENEYE NAME: N-(4,5-dimethylthiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CAS Name: N-(4,5-dimethyl-2-thiazolyl)-3-(4-methoxyphenyl)propanamide
IUPAC NAME: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
MOLECULAR FORMULA: C15H18N2O2S
MOLECULAR WEIGHT: 290.38062
SMILES: CC1=C(SC(=N1)NC(=O)CCC2=CC=C(C=C2)OC)C
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Product OPENEYE NAME: 4-isopropyl-N-[(4-propoxyphenyl)methyleneamino]benzamide
CAS Name: 4-propan-2-yl-N-[(4-propoxyphenyl)methylideneamino]benzamide
IUPAC NAME: 4-propan-2-yl-N-[(4-propoxyphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-propan-2-yl-N-[(4-propoxyphenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: CCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)C(C)C
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Product OPENEYE NAME: 2-acetamidoethyl 2-(1,3-dioxoisoindolin-2-yl)acetate
CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid 2-acetamidoethyl ester
IUPAC NAME: 2-acetamidoethyl 2-(1,3-dioxoisoindol-2-yl)acetate
SYSTEMATIC NAME: 2-acetamidoethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate
MOLECULAR FORMULA: C14H14N2O5
MOLECULAR WEIGHT: 290.27136
SMILES: CC(=O)NCCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O
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Product OPENEYE NAME: 2-(dibenzofuran-3-yliminomethyl)-N,N-diisobutyl-4-nitro-aniline
CAS Name: 2-(3-dibenzofuranyliminomethyl)-N,N-bis(2-methylpropyl)-4-nitroaniline
IUPAC NAME: 2-(dibenzofuran-3-yliminomethyl)-N,N-bis(2-methylpropyl)-4-nitroaniline
SYSTEMATIC NAME: 2-(dibenzofuran-3-yliminomethyl)-N,N-bis(2-methylpropyl)-4-nitro-aniline
MOLECULAR FORMULA: C27H29N3O3
MOLECULAR WEIGHT: 443.53746
SMILES: CC(C)CN(CC(C)C)C1=C(C=C(C=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)C4=CC=CC=C4O3
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Product OPENEYE NAME: 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]piperazine
CAS Name: 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]piperazine
IUPAC NAME: 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]piperazine
SYSTEMATIC NAME: 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]piperazine
MOLECULAR FORMULA: C18H30N2O2
MOLECULAR WEIGHT: 306.443
SMILES: CC(C)(C)C1=CC=C(C=C1)OCCOCCN2CCNCC2
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Product OPENEYE NAME: 2,2-diphenyl-N-(2-sec-butylphenyl)acetamide
CAS Name: N-(2-butan-2-ylphenyl)-2,2-diphenylacetamide
IUPAC NAME: N-(2-butan-2-ylphenyl)-2,2-diphenylacetamide
SYSTEMATIC NAME: N-(2-butan-2-ylphenyl)-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C24H25NO
MOLECULAR WEIGHT: 343.4614
SMILES: CCC(C)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[3-(4-chlorophenoxy)-4-oxo-chromen-7-yl]oxyacetic acid
CAS Name: 2-[[3-(4-chlorophenoxy)-4-oxo-1-benzopyran-7-yl]oxy]acetic acid
IUPAC NAME: 2-[3-(4-chlorophenoxy)-4-oxochromen-7-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[3-(4-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanoic acid
MOLECULAR FORMULA: C17H11ClO6
MOLECULAR WEIGHT: 346.71864
SMILES: C1=CC(=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O)Cl
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Product OPENEYE NAME: 5-(3-allyloxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CAS Name: 4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
IUPAC NAME: 4-[hydroxy-(4-propoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(2-methoxyethyl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C26H29NO6
MOLECULAR WEIGHT: 451.51156
SMILES: CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC(=CC=C3)OCC=C)O
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Product OPENEYE NAME: N'-[(4-chlorophenyl)methyleneamino]-N-(2-naphthyl)oxamide
CAS Name: N'-[(4-chlorophenyl)methylideneamino]-N-(2-naphthalenyl)oxamide
IUPAC NAME: N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
SYSTEMATIC NAME: N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yl-ethanediamide
MOLECULAR FORMULA: C19H14ClN3O2
MOLECULAR WEIGHT: 351.78636
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=O)NN=CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CAS Name: N-(3-chlorophenyl)-N-[(2-oxo-1-pyrrolidinyl)methyl]-4-(trifluoromethyl)benzamide
IUPAC NAME: N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C19H16ClF3N2O2
MOLECULAR WEIGHT: 396.79075
SMILES: C1CC(=O)N(C1)CN(C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 2-ethoxy-N-(5-methylisoxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CAS Name: 2-ethoxy-N-(5-methyl-3-isoxazolyl)-N-[(2-oxo-1-pyrrolidinyl)methyl]benzamide
IUPAC NAME: 2-ethoxy-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: 2-ethoxy-N-(5-methyl-1,2-oxazol-3-yl)-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C18H21N3O4
MOLECULAR WEIGHT: 343.37704
SMILES: CCOC1=CC=CC=C1C(=O)N(CN2CCCC2=O)C3=NOC(=C3)C
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Product OPENEYE NAME: 1-(o-tolyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CAS Name: 1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
IUPAC NAME: 1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
SYSTEMATIC NAME: 1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
MOLECULAR FORMULA: C21H23N3S
MOLECULAR WEIGHT: 349.49242
SMILES: CC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)NC4=C3CCCC4
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Product OPENEYE NAME: 4-[3-[[1-(4-chlorophenyl)-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide
CAS Name: 4-[3-[[1-(4-chlorophenyl)-2,5-dioxo-4-imidazolidinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide
IUPAC NAME: 4-[3-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[3-[[1-(4-chlorophenyl)-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide
MOLECULAR FORMULA: C22H19ClN4O4S
MOLECULAR WEIGHT: 470.92866
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C=C3C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[4-chloro-2-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium
CAS Name: 2-[4-chloro-2-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium
IUPAC NAME: 2-[4-chloro-2-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium
SYSTEMATIC NAME: 2-[2-[bis(fluoranyl)methoxy]-4-chloranyl-phenyl]-4-(4-fluorophenyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium
MOLECULAR FORMULA: C23H16ClF3N3O+
MOLECULAR WEIGHT: 442.84085
SMILES: C1=CC=C2C(=C1)NC3=[N+]2C(C=C(N3)C4=C(C=C(C=C4)Cl)OC(F)F)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate
CAS Name: 2-[1-(2-bromoethyl)-2-pyridin-1-iumyl]ethanesulfonate
IUPAC NAME: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate
SYSTEMATIC NAME: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate
MOLECULAR FORMULA: C9H12BrNO3S
MOLECULAR WEIGHT: 294.16548
SMILES: C1=CC=[N+](C(=C1)CCS(=O)(=O)[O-])CCBr
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Product OPENEYE NAME: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonic acid
CAS Name: 2-[1-(2-bromoethyl)-2-pyridin-1-iumyl]ethanesulfonic acid
IUPAC NAME: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonic acid
SYSTEMATIC NAME: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonic acid
MOLECULAR FORMULA: C9H13BrNO3S+
MOLECULAR WEIGHT: 295.17342
SMILES: C1=CC=[N+](C(=C1)CCS(=O)(=O)O)CCBr
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Product OPENEYE NAME: 4-propanoylpiperazine-2,6-dione
CAS Name: 4-(1-oxopropyl)piperazine-2,6-dione
IUPAC NAME: 4-propanoylpiperazine-2,6-dione
SYSTEMATIC NAME: 4-propanoylpiperazine-2,6-dione
MOLECULAR FORMULA: C7H10N2O3
MOLECULAR WEIGHT: 170.1659
SMILES: CCC(=O)N1CC(=O)NC(=O)C1
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Product OPENEYE NAME: diisopropyl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2,6-dimethyl-4-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dipropan-2-yl ester
IUPAC NAME: dipropan-2-yl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dipropan-2-yl 2,6-dimethyl-4-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C33H39N3O4S
MOLECULAR WEIGHT: 573.74546
SMILES: CCCSC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=C3C(=O)OC(C)C)C)C)C(=O)OC(C)C)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 4-[[2-[3-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
CAS Name: 4-[[2-[3-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-[3-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[2-[3-[2-(2,4-dichlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C30H29Cl2N3O5S
MOLECULAR WEIGHT: 614.53936
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=C(C=C(C=C3)Cl)Cl)CC(=O)NC4=CC=C(C=C4)C(=O)OCC
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