3-(octanoylcarbamothioylamino)-N-(phenylmethyl)benzamide

Systemtic Name: 3-(octanoylcarbamothioylamino)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(octanoylcarbamothioylamino)benzamide CAS Name: 3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-(octanoylcarbamothioylamino)benzamide Traditional Name: N-benzyl-3-(caprylylthiocarbamoylamino)benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O2S/c1-2-3-4-5-9-15-21(27)26-23(29)25-20-14-10-13-19(16-20)22(28)24-17-18-11-7-6-8-12-18/h6-8,10-14,16H,2-5,9,15,17H2,1H3,(H,24,28)(H2,25,26,27,29)