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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C29H35N3O4S3/c1-3-5-9-22-12-14-25(15-13-22)39(34,35)32-18-16-31(17-19-32)29(37)30-27-26(28(33)36-4-2)21-24(38-27)20-23-10-7-6-8-11-23/h6-8,10-15,21H,3-5,9,16-20H2,1-2H3,(H,30,37)