ethyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H35N3O4S3 MolecularWeight: 585.8009

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H35N3O4S3/c1-6-36-27(33)25-24(21-10-8-7-9-11-21)20(2)38-26(25)30-28(37)31-16-18-32(19-17-31)39(34,35)23-14-12-22(13-15-23)29(3,4)5/h7-15H,6,16-19H2,1-5H3,(H,30,37)