2-[(3-nitrophenyl)methylsulfanyl]-3-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)quinazolin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-oxo-4-pyrrolidin-1-yl-butyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-[4-oxo-4-(1-pyrrolidinyl)butyl]-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-4-one Traditional Name: 3-(4-keto-4-pyrrolidino-butyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4S/c28-21(25-12-3-4-13-25)11-6-14-26-22(29)19-9-1-2-10-20(19)24-23(26)32-16-17-7-5-8-18(15-17)27(30)31/h1-2,5,7-10,15H,3-4,6,11-14,16H2