hexyl 4-(2-methylpropanoylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(2-methylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(isobutyrylthiocarbamoylamino)benzoic acid hexyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-4-5-6-7-12-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H2,19,20,21,24)