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

Systemtic Name: methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-ethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O4S3 MolecularWeight: 529.69458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O4S3/c1-3-18-9-11-20(12-10-18)35(30,31)28-15-13-27(14-16-28)25(33)26-23-21(24(29)32-2)17-22(34-23)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,26,33)