N-[1-[[1-cyano-2-(phenylmethylsulfanyl)ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[1-[[1-cyano-2-(phenylmethylsulfanyl)ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]morpholine-4-carboxamide Openeye Name: N-[1-[(2-benzylsulfanyl-1-cyano-ethyl)carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide CAS Name: N-[1-[[1-cyano-2-(phenylmethylthio)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[1-[(2-benzylsulfanyl-1-cyanoethyl)amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide Traditional Name: N-[1-[[2-(benzylthio)-1-cyano-ethyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CSCC1=CC=CC=C1)C#N)NC(=O)N2CCOCC2

Isomeric SMILES

CC(C)CC(C(=O)NC(CSCC1=CC=CC=C1)C#N)NC(=O)N2CCOCC2

InChI

InChI=1S/C21H30N4O3S/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)