methyl 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

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