methyl 3-[(2,6-dimethylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(2,6-dimethylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(2,6-dimethylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,6-dimethylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(2,6-dimethylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

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