7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxy-5-methyl-phenyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxy-5-methylphenyl)-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxy-5-methylphenyl)-2-[(3S)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[(3S)-2-ketoazepan-3-yl]thio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C22H22ClN3O3S MolecularWeight: 443.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC4CCCCNC4=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2S[C@H]4CCCCNC4=O

InChI

InChI=1S/C22H22ClN3O3S/c1-13-6-9-18(29-2)17(11-13)26-21(28)15-8-7-14(23)12-16(15)25-22(26)30-19-5-3-4-10-24-20(19)27/h6-9,11-12,19H,3-5,10H2,1-2H3,(H,24,27)/t19-/m0/s1