2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-[(2R)-1-methoxypropan-2-yl]quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-[(2R)-1-methoxypropan-2-yl]quinazolin-4-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]quinazolin-4-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-[(2R)-1-methoxypropan-2-yl]-4-quinazolinone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-[(2R)-1-methoxypropan-2-yl]quinazolin-4-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-[(1R)-2-methoxy-1-methyl-ethyl]quinazolin-4-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C[C@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H23ClN2O4S/c1-14(12-27-2)25-21(26)16-6-3-4-7-18(16)24-22(25)30-13-15-10-17(23)20-19(11-15)28-8-5-9-29-20/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3/t14-/m1/s1