methyl 4-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-25-18(24)14-5-7-16(8-6-14)21-19(26)23-11-9-22(10-12-23)17-4-2-3-15(20)13-17/h2-8,13H,9-12H2,1H3,(H,21,26)