N-[2-(cyanomethylamino)-1-cyclohexylsulfanyl-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-(cyanomethylamino)-1-cyclohexylsulfanyl-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-cyclohexylsulfanyl-2-oxo-ethyl]benzamide CAS Name: N-[2-(cyanomethylamino)-1-(cyclohexylthio)-2-oxoethyl]benzamide IUPAC Name: N-[2-(cyanomethylamino)-1-cyclohexylsulfanyl-2-oxoethyl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-(cyclohexylthio)-2-keto-ethyl]benzamide Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)SC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S/c18-11-12-19-16(22)17(23-14-9-5-2-6-10-14)20-15(21)13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,5-6,9-10,12H2,(H,19,22)(H,20,21)