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

Systemtic Name: 2-[methyl(octanoylcarbamothioyl)amino]-N-phenethyl-benzamide Openeye Name: 2-[methyl(octanoylcarbamothioyl)amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl(octanoylcarbamothioyl)amino]-N-phenethylbenzamide Traditional Name: 2-[caprylylthiocarbamoyl(methyl)amino]-N-phenethyl-benzamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O2S/c1-3-4-5-6-10-17-23(29)27-25(31)28(2)22-16-12-11-15-21(22)24(30)26-19-18-20-13-8-7-9-14-20/h7-9,11-16H,3-6,10,17-19H2,1-2H3,(H,26,30)(H,27,29,31)