3-(hexanoylcarbamothioylamino)-N-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 3-(hexanoylcarbamothioylamino)-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(hexanoylcarbamothioylamino)-N-methyl-benzamide CAS Name: N-methyl-3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-(hexanoylcarbamothioylamino)-N-methylbenzamide Traditional Name: N-benzyl-3-(caproylthiocarbamoylamino)-N-methyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N(C)CC2=CC=CC=C2

InChI

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