N-[1-[cyano(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[1-[cyano(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-[cyano(methyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[1-[cyano(methyl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-[cyano(methyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-[cyano(methyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C14H17N3O2S MolecularWeight: 291.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CCSC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CN(C#N)C(=O)C(CCSC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17N3O2S/c1-17(10-15)14(19)12(8-9-20-2)16-13(18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,16,18)