2-(hexanoylcarbamothioylamino)-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 2-(hexanoylcarbamothioylamino)-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-(hexanoylcarbamothioylamino)-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-(hexanoylcarbamothioylamino)-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-[(1R)-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=C1C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-3-4-6-15-20(26)25-22(28)24-19-14-10-9-13-18(19)21(27)23-16(2)17-11-7-5-8-12-17/h5,7-14,16H,3-4,6,15H2,1-2H3,(H,23,27)(H2,24,25,26,28)/t16-/m1/s1