Product OPENEYE NAME: methyl 4-(4-fluorophenyl)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)thiophene-3-carboxylate
CAS Name: 4-(4-fluorophenyl)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(4-fluorophenyl)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-(4-fluorophenyl)-2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H9F8NO3S
MOLECULAR WEIGHT: 447.299786
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one
CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-undecanone
IUPAC NAME: 1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one
SYSTEMATIC NAME: 1-(4-pyrimidin-2-ylpiperazin-1-yl)undecan-1-one
MOLECULAR FORMULA: C19H32N4O
MOLECULAR WEIGHT: 332.48358
SMILES: CCCCCCCCCCC(=O)N1CCN(CC1)C2=NC=CC=N2
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Product OPENEYE NAME: methyl 2-[3-(4-tert-butylphenyl)prop-2-enoylamino]-4-(p-tolyl)thiophene-3-carboxylate
CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[3-(4-tert-butylphenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[3-(4-tert-butylphenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C26H27NO3S
MOLECULAR WEIGHT: 433.56248
SMILES: CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: 2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone
IUPAC NAME: 2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SYSTEMATIC NAME: 2-phenyl-2-phenylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C22H22N4OS
MOLECULAR WEIGHT: 390.50128
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4
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Product OPENEYE NAME: p-tolyl(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)ammonium
CAS Name: (4-methylphenyl)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)ammonium
IUPAC NAME: (4-methylphenyl)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)azanium
SYSTEMATIC NAME: (4-methylphenyl)-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)azanium
MOLECULAR FORMULA: C17H18N3S+
MOLECULAR WEIGHT: 296.40992
SMILES: CC1=CC=C(C=C1)[NH2+]C2=C3C4=C(CCCC4)SC3=NC=N2
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Product OPENEYE NAME: [4-(2-methoxy-2-oxo-ethyl)cyclohexyl]ammonium
CAS Name: [4-(2-methoxy-2-oxoethyl)cyclohexyl]ammonium
IUPAC NAME: [4-(2-methoxy-2-oxoethyl)cyclohexyl]azanium
SYSTEMATIC NAME: [4-(2-methoxy-2-oxidanylidene-ethyl)cyclohexyl]azanium
MOLECULAR FORMULA: C9H18NO2+
MOLECULAR WEIGHT: 172.24472
SMILES: COC(=O)CC1CCC(CC1)[NH3+]
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Product OPENEYE NAME: methyl 2-(4-aminocyclohexyl)acetate
CAS Name: 2-(4-aminocyclohexyl)acetic acid methyl ester
IUPAC NAME: methyl 2-(4-aminocyclohexyl)acetate
SYSTEMATIC NAME: methyl 2-(4-azanylcyclohexyl)ethanoate
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: COC(=O)CC1CCC(CC1)N
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Product OPENEYE NAME: (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-fluorophenyl)methanone
CAS Name: (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-fluorophenyl)methanone
IUPAC NAME: (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-fluorophenyl)methanone
SYSTEMATIC NAME: (6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C15H10ClFO3
MOLECULAR WEIGHT: 292.689503
SMILES: C1COC2=C(O1)C=C(C(=C2)Cl)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[bis(diethylamino)-$l^{4}-sulfanylidene]benzenesulfonamide
CAS Name: N-[bis(diethylamino)-$l^{4}-sulfanylidene]benzenesulfonamide
IUPAC NAME: N-[bis(diethylamino)-$l^{4}-sulfanylidene]benzenesulfonamide
SYSTEMATIC NAME: N-[bis(diethylamino)-$l^{4}-sulfanylidene]benzenesulfonamide
MOLECULAR FORMULA: C14H25N3O2S2
MOLECULAR WEIGHT: 331.4972
SMILES: CCN(CC)S(=NS(=O)(=O)C1=CC=CC=C1)N(CC)CC
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Product OPENEYE NAME: 6-amino-2-[[2-[2-[[2-[(5-amino-1-carboxy-pentyl)amino]-2-oxo-ethyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]hexanoic acid
CAS Name: 6-amino-2-[[2-[2-[[2-[(5-amino-1-carboxypentyl)amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-1-oxoethyl]amino]hexanoic acid
IUPAC NAME: 6-amino-2-[[2-[2-[[2-[(5-amino-1-carboxypentyl)amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[2-[2-[[2-[(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]-(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoylamino]hexanoic acid
MOLECULAR FORMULA: C22H40N6O10
MOLECULAR WEIGHT: 548.5872
SMILES: C(CCN)CC(C(=O)O)NC(=O)CN(CCN(CC(=O)NC(CCCCN)C(=O)O)CC(=O)O)CC(=O)O
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Product OPENEYE NAME: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]acetamide
CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
IUPAC NAME: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: N-[(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide
MOLECULAR FORMULA: C30H28N4O7S
MOLECULAR WEIGHT: 588.63092
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4
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Product OPENEYE NAME: N-[(3-bromophenyl)methyleneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CAS Name: N-[(3-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)-2-tetrazolyl]acetamide
IUPAC NAME: N-[(3-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SYSTEMATIC NAME: N-[(3-bromophenyl)methylideneamino]-2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
MOLECULAR FORMULA: C16H12BrFN6O
MOLECULAR WEIGHT: 403.208483
SMILES: C1=CC(=CC(=C1)Br)C=NNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 4-methyl-N-phenyl-penta-2,3-dienamide
CAS Name: 4-methyl-N-phenylpenta-2,3-dienamide
IUPAC NAME: 4-methyl-N-phenylpenta-2,3-dienamide
SYSTEMATIC NAME: 4-methyl-N-phenyl-penta-2,3-dienamide
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: CC(=C=CC(=O)NC1=CC=CC=C1)C
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Product OPENEYE NAME: N-[4-(2-aminothiazol-4-yl)thiazol-2-yl]-4-methoxy-benzenesulfonamide
CAS Name: N-[4-(2-amino-4-thiazolyl)-2-thiazolyl]-4-methoxybenzenesulfonamide
IUPAC NAME: N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methoxybenzenesulfonamide
SYSTEMATIC NAME: N-[4-(2-azanyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-4-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C13H12N4O3S3
MOLECULAR WEIGHT: 368.45438
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CSC(=N3)N
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Product OPENEYE NAME: N-(cyclohexylmethyleneamino)-2-methyl-benzamide
CAS Name: N-(cyclohexylmethylideneamino)-2-methylbenzamide
IUPAC NAME: N-(cyclohexylmethylideneamino)-2-methylbenzamide
SYSTEMATIC NAME: N-(cyclohexylmethylideneamino)-2-methyl-benzamide
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CC1=CC=CC=C1C(=O)NN=CC2CCCCC2
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Product OPENEYE NAME: N1,N4-bis(p-tolylmethyl)terephthalamide
CAS Name: N1,N4-bis[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
IUPAC NAME: 1-N,4-N-bis[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C24H24N2O2
MOLECULAR WEIGHT: 372.45956
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C
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Product OPENEYE NAME: N-(2,4-dimethoxyphenyl)-2-[2-(2-methylbutylamino)-2-oxo-ethyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide
CAS Name: N-(2,4-dimethoxyphenyl)-2-[2-(2-methylbutylamino)-2-oxoethyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide
IUPAC NAME: N-(2,4-dimethoxyphenyl)-2-[2-(2-methylbutylamino)-2-oxoethyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-2-[2-(2-methylbutylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide
MOLECULAR FORMULA: C29H39N5O5
MOLECULAR WEIGHT: 537.65046
SMILES: CCC(C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)NC3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4
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