[2-[(2-methylphenyl)carbonylcarbamothioylamino]pyridin-3-yl] 2-methylbenzoate

Systemtic Name: [2-[(2-methylphenyl)carbonylcarbamothioylamino]pyridin-3-yl] 2-methylbenzoate Openeye Name: [2-[(2-methylbenzoyl)carbamothioylamino]-3-pyridyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-pyridinyl] ester IUPAC Name: [2-[(2-methylbenzoyl)carbamothioylamino]pyridin-3-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-(o-toluoylthiocarbamoylamino)-3-pyridyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC=N2)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC=N2)OC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H19N3O3S/c1-14-8-3-5-10-16(14)20(26)25-22(29)24-19-18(12-7-13-23-19)28-21(27)17-11-6-4-9-15(17)2/h3-13H,1-2H3,(H2,23,24,25,26,29)