2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[(3S)-2-oxoazepan-3-yl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[(3S)-2-oxo-3-azepanyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(3S)-2-oxoazepan-3-yl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[(3S)-2-ketoazepan-3-yl]thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c30-24-23(12-6-7-17-27-24)33-26-28-22-11-5-4-10-21(22)25(31)29(26)18-13-15-20(16-14-18)32-19-8-2-1-3-9-19/h1-5,8-11,13-16,23H,6-7,12,17H2,(H,27,30)/t23-/m0/s1