3-(3-chlorophenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c21-13-6-5-7-14(12-13)24-19(26)15-8-1-2-9-16(15)23-20(24)27-17-10-3-4-11-22-18(17)25/h1-2,5-9,12,17H,3-4,10-11H2,(H,22,25)