2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(4-chlorophenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(4-chlorophenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-3-(4-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Formula: C22H21Cl2N3O2S MolecularWeight: 462.39204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21Cl2N3O2S/c23-15-5-8-17(9-6-15)27-21(29)18-10-7-16(24)13-19(18)25-22(27)30-14-20(28)26-11-3-1-2-4-12-26/h5-10,13H,1-4,11-12,14H2