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

Systemtic Name: methyl 5-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-tosylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O4S3 MolecularWeight: 453.59862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S3/c1-13-4-6-15(7-5-13)29(24,25)22-10-8-21(9-11-22)19(27)20-17-16(18(23)26-3)12-14(2)28-17/h4-7,12H,8-11H2,1-3H3,(H,20,27)