ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O4S3 MolecularWeight: 557.74774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C27H31N3O4S3/c1-3-34-26(31)24-18-22(17-20-7-5-4-6-8-20)36-25(24)29-27(35)28-21-9-11-23(12-10-21)37(32,33)30-15-13-19(2)14-16-30/h4-12,18-19H,3,13-17H2,1-2H3,(H2,28,29,35)