methyl 4-(propan-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(propan-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(isopropylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(propan-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(isopropylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)NC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H16N2O3S/c1-8(2)14-13(19)15-11(16)9-4-6-10(7-5-9)12(17)18-3/h4-8H,1-3H3,(H2,14,15,16,19)