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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-2-26-19(25)15-3-7-17(8-4-15)22-20(27)24-13-11-23(12-14-24)18-9-5-16(21)6-10-18/h3-10H,2,11-14H2,1H3,(H,22,27)