methyl 3-[(4-methylpyridin-2-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(4-methylpyridin-2-yl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(4-methyl-2-pyridyl)carbamothioylamino]benzoate CAS Name: 3-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylpyridin-2-yl)carbamothioylamino]benzoate Traditional Name: 3-[(4-methyl-2-pyridyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C15H15N3O2S/c1-10-6-7-16-13(8-10)18-15(21)17-12-5-3-4-11(9-12)14(19)20-2/h3-9H,1-2H3,(H2,16,17,18,21)