2-methyl-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 2-methyl-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-methyl-3-[(4-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 2-methyl-3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-methyl-3-[(4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 2-methyl-3-(p-toluoylthiocarbamoylamino)benzoate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c1-10-6-8-12(9-7-10)15(20)19-17(23)18-14-5-3-4-13(11(14)2)16(21)22/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)/p-1