methyl 2-(octanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(octanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-(octanoylcarbamothioylamino)benzoate CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(octanoylcarbamothioylamino)benzoate Traditional Name: 2-(caprylylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C17H24N2O3S/c1-3-4-5-6-7-12-15(20)19-17(23)18-14-11-9-8-10-13(14)16(21)22-2/h8-11H,3-7,12H2,1-2H3,(H2,18,19,20,23)