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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-p-cumenylsulfonylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O4S3 MolecularWeight: 571.77432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H33N3O4S3/c1-4-35-27(32)25-19-23(18-21-8-6-5-7-9-21)37-26(25)29-28(36)30-14-16-31(17-15-30)38(33,34)24-12-10-22(11-13-24)20(2)3/h5-13,19-20H,4,14-18H2,1-3H3,(H,29,36)