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

Systemtic Name: methyl 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O4S3 MolecularWeight: 543.72116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O4S3/c1-17-10-11-18(2)21(16-17)36(31,32)29-14-12-28(13-15-29)26(34)27-24-23(25(30)33-4)22(19(3)35-24)20-8-6-5-7-9-20/h5-11,16H,12-15H2,1-4H3,(H,27,34)