3-azanyl-N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]benzamide

Systemtic Name: 3-azanyl-N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]benzamide Openeye Name: 3-amino-N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: 3-amino-N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]benzamide IUPAC Name: 3-amino-N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 3-amino-N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)N

InChI

InChI=1S/C19H20N4O2S/c20-9-10-22-19(25)17(13-26-12-14-5-2-1-3-6-14)23-18(24)15-7-4-8-16(21)11-15/h1-8,11,17H,10,12-13,21H2,(H,22,25)(H,23,24)