4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide

Systemtic Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide Openeye Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)butanamide CAS Name: 4-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-(2-oxolanylmethyl)butanamide IUPAC Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-(oxolan-2-ylmethyl)butanamide Traditional Name: 4-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]-N-(tetrahydrofurfuryl)butyramide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5S/c29-22(25-15-19-8-5-13-33-19)11-4-12-27-23(30)20-9-1-2-10-21(20)26-24(27)34-16-17-6-3-7-18(14-17)28(31)32/h1-3,6-7,9-10,14,19H,4-5,8,11-13,15-16H2,(H,25,29)