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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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