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

Systemtic Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O4S3 MolecularWeight: 543.72116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S3/c1-3-33-25(30)22-17-23(19-7-5-4-6-8-19)35-24(22)28-26(34)27-20-9-11-21(12-10-20)36(31,32)29-15-13-18(2)14-16-29/h4-12,17-18H,3,13-16H2,1-2H3,(H2,27,28,34)