[4-[11-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]undecanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[11-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]undecanoylamino]phenyl] thiocyanate Openeye Name: [4-[11-(2,5-dioxopyrrolidin-1-yl)undecanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[11-(2,5-dioxo-1-pyrrolidinyl)-1-oxoundecyl]amino]phenyl] ester IUPAC Name: [4-[11-(2,5-dioxopyrrolidin-1-yl)undecanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(11-succinimidoundecanoylamino)phenyl] ester Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CCCCCCCCCCC(=O)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

C1CC(=O)N(C1=O)CCCCCCCCCCC(=O)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C22H29N3O3S/c23-17-29-19-12-10-18(11-13-19)24-20(26)9-7-5-3-1-2-4-6-8-16-25-21(27)14-15-22(25)28/h10-13H,1-9,14-16H2,(H,24,26)