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

Systemtic Name: 2-[hexanoylcarbamothioyl(methyl)amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[hexanoylcarbamothioyl(methyl)amino]benzamide CAS Name: 2-[methyl-[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[hexanoylcarbamothioyl(methyl)amino]benzamide Traditional Name: N-benzyl-2-[caproylthiocarbamoyl(methyl)amino]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-3-4-6-15-20(26)24-22(28)25(2)19-14-10-9-13-18(19)21(27)23-16-17-11-7-5-8-12-17/h5,7-14H,3-4,6,15-16H2,1-2H3,(H,23,27)(H,24,26,28)