N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(2-quinolylthio)acetamide Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N2O3S/c1-16(2)24(18-8-10-20-21(14-18)29-13-5-12-28-20)26-22(27)15-30-23-11-9-17-6-3-4-7-19(17)25-23/h3-4,6-11,14,16,24H,5,12-13,15H2,1-2H3,(H,26,27)/t24-/m1/s1