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

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-3-oxidanyl-benzamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-3-hydroxy-benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-3-hydroxybenzamide IUPAC Name: N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-hydroxybenzamide Traditional Name: N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]-3-hydroxy-benzamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c20-9-10-21-19(25)17(13-26-12-14-5-2-1-3-6-14)22-18(24)15-7-4-8-16(23)11-15/h1-8,11,17,23H,10,12-13H2,(H,21,25)(H,22,24)