methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,5-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H31N3O4S3 MolecularWeight: 557.74774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C27H31N3O4S3/c1-17-14-18(2)16-30(15-17)37(32,33)22-12-10-21(11-13-22)28-27(35)29-25-24(26(31)34-4)23(19(3)36-25)20-8-6-5-7-9-20/h5-13,17-18H,14-16H2,1-4H3,(H2,28,29,35)