methyl 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(p-tolylsulfonyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-tosylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C21H25N3O4S3/c1-14-6-8-15(9-7-14)31(26,27)24-12-10-23(11-13-24)21(29)22-19-18(20(25)28-2)16-4-3-5-17(16)30-19/h6-9H,3-5,10-13H2,1-2H3,(H,22,29)