2-(octanoylcarbamothioylamino)-N-phenethyl-benzamide

Systemtic Name: 2-(octanoylcarbamothioylamino)-N-phenethyl-benzamide Openeye Name: 2-(octanoylcarbamothioylamino)-N-phenethyl-benzamide CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(octanoylcarbamothioylamino)-N-phenethylbenzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-phenethyl-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)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O2S/c1-2-3-4-5-9-16-22(28)27-24(30)26-21-15-11-10-14-20(21)23(29)25-18-17-19-12-7-6-8-13-19/h6-8,10-15H,2-5,9,16-18H2,1H3,(H,25,29)(H2,26,27,28,30)