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

Systemtic Name: ethyl 4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(3-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-chlorophenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3-chlorobenzyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-2-27-20(26)17-6-8-19(9-7-17)23-21(28)25-12-10-24(11-13-25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,23,28)