2-(1,3-benzoxazol-2-ylsulfanyl)-N,N'-diethyl-butanediamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N'-diethyl-butanediamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N'-diethyl-butanediamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N,N'-diethylbutanediamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N'-diethylbutanediamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N,N'-diethyl-succinamide Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CC(C(=O)NCC)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCNC(=O)CC(C(=O)NCC)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C15H19N3O3S/c1-3-16-13(19)9-12(14(20)17-4-2)22-15-18-10-7-5-6-8-11(10)21-15/h5-8,12H,3-4,9H2,1-2H3,(H,16,19)(H,17,20)