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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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