methyl 2-[(2-cyclopropylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 2-[(2-cyclopropylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(2-cyclopropylphenyl)carbamothioylamino]benzoate CAS Name: 2-[[(2-cyclopropylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-cyclopropylphenyl)carbamothioylamino]benzoate Traditional Name: 2-[(2-cyclopropylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC=CC=C2C3CC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC=CC=C2C3CC3

InChI

InChI=1S/C18H18N2O2S/c1-22-17(21)14-7-3-5-9-16(14)20-18(23)19-15-8-4-2-6-13(15)12-10-11-12/h2-9,12H,10-11H2,1H3,(H2,19,20,23)