[4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]hexanoylamino]phenyl] thiocyanate Openeye Name: [4-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[6-(2,5-dioxo-1-pyrrolidinyl)-1-oxohexyl]amino]phenyl] ester IUPAC Name: [4-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(6-succinimidohexanoylamino)phenyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c18-12-24-14-7-5-13(6-8-14)19-15(21)4-2-1-3-11-20-16(22)9-10-17(20)23/h5-8H,1-4,9-11H2,(H,19,21)