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

Systemtic Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[3-methyl-4-(p-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=C(C=C2)C)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

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

InChI

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