2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(3-chloro-4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chloro-4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O2S/c23-17-13-15(9-10-18(17)24)27-21(29)16-7-3-4-8-19(16)25-22(27)30-14-20(28)26-11-5-1-2-6-12-26/h3-4,7-10,13H,1-2,5-6,11-12,14H2