4-chloranyl-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(4-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-(p-toluoylthiocarbamoylamino)benzoate Formula: C16H12ClN2O3S- MolecularWeight: 347.79608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-9-2-4-10(5-3-9)14(20)19-16(23)18-13-8-11(15(21)22)6-7-12(13)17/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)/p-1