1-(azepan-1-yl)-2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]ethanone Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3OS/c23-17-10-11-19-18(14-17)22(25-21(24-19)16-8-4-3-5-9-16)28-15-20(27)26-12-6-1-2-7-13-26/h3-5,8-11,14H,1-2,6-7,12-13,15H2