propyl 4-(octanoylcarbamothioylamino)benzoate

Systemtic Name: propyl 4-(octanoylcarbamothioylamino)benzoate Openeye Name: propyl 4-(octanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(octanoylcarbamothioylamino)benzoate Traditional Name: 4-(caprylylthiocarbamoylamino)benzoic acid propyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S/c1-3-5-6-7-8-9-17(22)21-19(25)20-16-12-10-15(11-13-16)18(23)24-14-4-2/h10-13H,3-9,14H2,1-2H3,(H2,20,21,22,25)