methyl 4-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(6-methyl-2-pyridyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(6-methyl-2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-methylpyridin-2-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(6-methyl-2-pyridyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H22N4O2S/c1-14-4-3-5-17(20-14)22-10-12-23(13-11-22)19(26)21-16-8-6-15(7-9-16)18(24)25-2/h3-9H,10-13H2,1-2H3,(H,21,26)