methyl 4-(octanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(octanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(octanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(octanoylcarbamothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H24N2O3S/c1-3-4-5-6-7-8-15(20)19-17(23)18-14-11-9-13(10-12-14)16(21)22-2/h9-12H,3-8H2,1-2H3,(H2,18,19,20,23)