methyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H25Cl2N3O2S2 MolecularWeight: 498.4888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H25Cl2N3O2S2/c1-29-21(28)19-15-5-3-2-4-6-18(15)31-20(19)25-22(30)27-11-9-26(10-12-27)14-7-8-16(23)17(24)13-14/h7-8,13H,2-6,9-12H2,1H3,(H,25,30)