methyl 2-[[4-(3-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(3-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(m-tolyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(3-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(m-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=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

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