4-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-[(2-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(2-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(o-toluoylthiocarbamoylamino)benzoate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c1-10-4-2-3-5-13(10)14(19)18-16(22)17-12-8-6-11(7-9-12)15(20)21/h2-9H,1H3,(H,20,21)(H2,17,18,19,22)/p-1