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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2C

InChI

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