4-(octanoylcarbamothioylamino)-N-(phenylmethyl)benzamide

Systemtic Name: 4-(octanoylcarbamothioylamino)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-(octanoylcarbamothioylamino)benzamide CAS Name: 4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-(octanoylcarbamothioylamino)benzamide Traditional Name: N-benzyl-4-(caprylylthiocarbamoylamino)benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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