2-(octanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

Systemtic Name: 2-(octanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide Openeye Name: 2-(octanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-(octanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-(1-phenylethyl)benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C24H31N3O2S/c1-3-4-5-6-10-17-22(28)27-24(30)26-21-16-12-11-15-20(21)23(29)25-18(2)19-13-8-7-9-14-19/h7-9,11-16,18H,3-6,10,17H2,1-2H3,(H,25,29)(H2,26,27,28,30)