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

Systemtic Name: methyl 4-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H19Cl2N3O2S MolecularWeight: 424.34406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3O2S/c1-26-18(25)13-2-4-14(5-3-13)22-19(27)24-10-8-23(9-11-24)15-6-7-16(20)17(21)12-15/h2-7,12H,8-11H2,1H3,(H,22,27)