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

Systemtic Name: ethyl 4-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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