ethyl 4-[[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C20H27N5O4S/c1-2-29-20(28)25-12-10-24(11-13-25)19(27)23-17(18(26)22-9-8-21)15-30-14-16-6-4-3-5-7-16/h3-7,17H,2,9-15H2,1H3,(H,22,26)(H,23,27)