ethyl 4-(octanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(octanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(octanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(octanoylcarbamothioylamino)benzoate Traditional Name: 4-(caprylylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-3-5-6-7-8-9-16(21)20-18(24)19-15-12-10-14(11-13-15)17(22)23-4-2/h10-13H,3-9H2,1-2H3,(H2,19,20,21,24)