ethyl 4-[(2-methylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-(o-tolylcarbamothioylamino)benzoate CAS Name: 4-[[(2-methylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-(o-tolylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C

InChI

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