3-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

Systemtic Name: 3-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide Openeye Name: 3-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide CAS Name: 3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-(hexanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide Traditional Name: 3-(caproylthiocarbamoylamino)-N-(1-phenylethyl)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)NC(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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