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

Systemtic Name: ethyl 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 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)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-3-27-20(26)16-5-8-18(9-6-16)23-21(28)25-12-10-24(11-13-25)19-14-17(22)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3,(H,23,28)