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

Systemtic Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C22H27N3O2S2/c1-14-7-9-16(10-8-14)25-12-11-24(13-15(25)2)22(28)23-20-19(21(26)27-3)17-5-4-6-18(17)29-20/h7-10,15H,4-6,11-13H2,1-3H3,(H,23,28)