methyl 2-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H23N3O2S/c1-15-7-3-6-10-18(15)22-11-13-23(14-12-22)20(26)21-17-9-5-4-8-16(17)19(24)25-2/h3-10H,11-14H2,1-2H3,(H,21,26)