methyl 2-[hexylcarbamothioyl(methyl)amino]benzoate

Systemtic Name: methyl 2-[hexylcarbamothioyl(methyl)amino]benzoate Openeye Name: methyl 2-[hexylcarbamothioyl(methyl)amino]benzoate CAS Name: 2-[[(hexylamino)-sulfanylidenemethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[hexylcarbamothioyl(methyl)amino]benzoate Traditional Name: 2-[hexylthiocarbamoyl(methyl)amino]benzoic acid methyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N(C)C1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCCCNC(=S)N(C)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C16H24N2O2S/c1-4-5-6-9-12-17-16(21)18(2)14-11-8-7-10-13(14)15(19)20-3/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,17,21)