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

Systemtic Name: methyl 2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[3-methyl-4-(m-tolyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-4-(3-methylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[3-methyl-4-(m-tolyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H25N3O2S/c1-15-7-6-8-17(13-15)24-12-11-23(14-16(24)2)21(27)22-19-10-5-4-9-18(19)20(25)26-3/h4-10,13,16H,11-12,14H2,1-3H3,(H,22,27)