3-[2-(2,4-dichlorophenyl)ethyl]-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2-(2,4-dichlorophenyl)ethyl]-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(2,4-dichlorophenyl)ethyl]-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 3-[2-(2,4-dichlorophenyl)ethyl]-2-[[(3S)-2-oxo-3-azepanyl]thio]-4-quinazolinone IUPAC Name: 3-[2-(2,4-dichlorophenyl)ethyl]-2-[(3S)-2-oxoazepan-3-yl]sulfanylquinazolin-4-one Traditional Name: 3-[2-(2,4-dichlorophenyl)ethyl]-2-[[(3S)-2-ketoazepan-3-yl]thio]quinazolin-4-one Formula: C22H21Cl2N3O2S MolecularWeight: 462.39204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2CCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2CCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O2S/c23-15-9-8-14(17(24)13-15)10-12-27-21(29)16-5-1-2-6-18(16)26-22(27)30-19-7-3-4-11-25-20(19)28/h1-2,5-6,8-9,13,19H,3-4,7,10-12H2,(H,25,28)/t19-/m0/s1