Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide
CAS Name: (2S)-2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide
IUPAC NAME: (2S)-2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2S)-2-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-propyl-propanamide
MOLECULAR FORMULA: C16H19ClN2O4
MOLECULAR WEIGHT: 338.78606
SMILES: CCCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCO2
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Product OPENEYE NAME: methyl N-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C15H22N3O5S+
MOLECULAR WEIGHT: 356.41728
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)OC
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Product OPENEYE NAME: methyl N-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C15H21N3O5S
MOLECULAR WEIGHT: 355.40934
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)OC
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Product OPENEYE NAME: [(1S)-2-[(4-methoxyphenyl)methylcarbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1S)-2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1S)-2-[(4-methoxyphenyl)methylcarbamothioylamino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1S)-2-[(4-methoxyphenyl)methylcarbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C19H26N3OS+
MOLECULAR WEIGHT: 344.49424
SMILES: C[NH+](C)[C@H](CNC(=S)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CAS Name: 1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
IUPAC NAME: 1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-3-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C19H25N3OS
MOLECULAR WEIGHT: 343.4863
SMILES: CN(C)[C@H](CNC(=S)NCC1=CC=C(C=C1)OC)C2=CC=CC=C2
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Product OPENEYE NAME: N-(3-cyano-2-thienyl)-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide
CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: N-(3-cyanothiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: N-(3-cyanothiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C19H23N4O3S2+
MOLECULAR WEIGHT: 419.54092
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N
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Product OPENEYE NAME: N-(3-cyano-2-thienyl)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propanamide
CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: N-(3-cyanothiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: N-(3-cyanothiophen-2-yl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C19H22N4O3S2
MOLECULAR WEIGHT: 418.53298
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C#N
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Product OPENEYE NAME: N-[(1S)-1-(p-tolyl)propyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC[C@@H](C1=CC=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1S)-1-(p-tolyl)propyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC[C@@H](C1=CC=C(C=C1)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1R)-1-(p-tolyl)propyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC[C@H](C1=CC=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-[(1R)-1-(p-tolyl)propyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC[C@H](C1=CC=C(C=C1)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 3-allyl-1-benzhydryl-1-methyl-thiourea
CAS Name: 1-(diphenylmethyl)-1-methyl-3-prop-2-enylthiourea
IUPAC NAME: 1-benzhydryl-1-methyl-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1-methyl-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C18H20N2S
MOLECULAR WEIGHT: 296.4298
SMILES: CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCC=C
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Product OPENEYE NAME: N-[(2S)-2-phenylpropyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2S)-2-phenylpropyl]-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[(2S)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: 1-benzhydryl-1,3-dimethyl-thiourea
CAS Name: 1-(diphenylmethyl)-1,3-dimethylthiourea
IUPAC NAME: 1-benzhydryl-1,3-dimethylthiourea
SYSTEMATIC NAME: 1-(diphenylmethyl)-1,3-dimethyl-thiourea
MOLECULAR FORMULA: C16H18N2S
MOLECULAR WEIGHT: 270.39252
SMILES: CNC(=S)N(C)C(C1=CC=CC=C1)C2=CC=CC=C2
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