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

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O5S3 MolecularWeight: 545.69398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S3/c1-17-21(18-7-5-4-6-8-18)22(24(29)33-3)23(35-17)26-25(34)27-13-15-28(16-14-27)36(30,31)20-11-9-19(32-2)10-12-20/h4-12H,13-16H2,1-3H3,(H,26,34)