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

Systemtic Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H21Cl2N3O2S2 MolecularWeight: 470.43564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O2S2/c1-27-19(26)17-13-3-2-4-16(13)29-18(17)23-20(28)25-9-7-24(8-10-25)12-5-6-14(21)15(22)11-12/h5-6,11H,2-4,7-10H2,1H3,(H,23,28)