2-(octanoylcarbamothioylamino)-N-phenyl-benzamide

Systemtic Name: 2-(octanoylcarbamothioylamino)-N-phenyl-benzamide Openeye Name: 2-(octanoylcarbamothioylamino)-N-phenyl-benzamide CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-(octanoylcarbamothioylamino)-N-phenylbenzamide Traditional Name: 2-(caprylylthiocarbamoylamino)-N-phenyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-2-3-4-5-9-16-20(26)25-22(28)24-19-15-11-10-14-18(19)21(27)23-17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,23,27)(H2,24,25,26,28)