2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-(2-oxoazepan-3-yl)sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-[(2-oxo-3-azepanyl)thio]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-(2-oxoazepan-3-yl)sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-(3-pyrrolidinosulfonylphenyl)quinazolin-4-one Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H26N4O4S2/c29-22-21(12-3-4-13-25-22)33-24-26-20-11-2-1-10-19(20)23(30)28(24)17-8-7-9-18(16-17)34(31,32)27-14-5-6-15-27/h1-2,7-11,16,21H,3-6,12-15H2,(H,25,29)