4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: 4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoate Openeye Name: 4-methyl-3-(p-tolylmethylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methyl-3-[(4-methylphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-methyl-3-[(4-methylbenzyl)thiocarbamoylamino]benzoate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-11-3-6-13(7-4-11)10-18-17(22)19-15-9-14(16(20)21)8-5-12(15)2/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,22)/p-1