methyl 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-chlorobenzyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-26-19(25)15-6-8-17(9-7-15)22-20(27)24-12-10-23(11-13-24)14-16-4-2-3-5-18(16)21/h2-9H,10-14H2,1H3,(H,22,27)