methyl 3-(propan-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(propan-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(isopropylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(propan-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(isopropylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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