2-[methyl(octanoylcarbamothioyl)amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[methyl(octanoylcarbamothioyl)amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[methyl(octanoylcarbamothioyl)amino]benzamide CAS Name: 2-[methyl-[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[methyl(octanoylcarbamothioyl)amino]benzamide Traditional Name: N-benzyl-2-[caprylylthiocarbamoyl(methyl)amino]benzamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCC2=CC=CC=C2

InChI

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