methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]benzoate CAS Name: 2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]benzoate Traditional Name: 2-[(3,4-dimethylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C17H18N2O2S/c1-11-8-9-13(10-12(11)2)18-17(22)19-15-7-5-4-6-14(15)16(20)21-3/h4-10H,1-3H3,(H2,18,19,22)