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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-p-cumenylsulfonylpiperazine-1-carbothioyl)amino]-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)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

InChI

InChI=1S/C28H33N3O4S3/c1-5-35-27(32)25-24(22-9-7-6-8-10-22)20(4)37-26(25)29-28(36)30-15-17-31(18-16-30)38(33,34)23-13-11-21(12-14-23)19(2)3/h6-14,19H,5,15-18H2,1-4H3,(H,29,36)