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

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(quinazolin-4-ylthio)acetamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3S/c1-15(2)22(16-8-9-19-20(12-16)29-11-5-10-28-19)26-21(27)13-30-23-17-6-3-4-7-18(17)24-14-25-23/h3-4,6-9,12,14-15,22H,5,10-11,13H2,1-2H3,(H,26,27)/t22-/m1/s1