N-[(3-chlorophenyl)methyl]-4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]butanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]butanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-(3-chlorobenzyl)-4-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]butyramide Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H23ClN4O4S/c27-20-8-3-6-18(14-20)16-28-24(32)12-5-13-30-25(33)22-10-1-2-11-23(22)29-26(30)36-17-19-7-4-9-21(15-19)31(34)35/h1-4,6-11,14-15H,5,12-13,16-17H2,(H,28,32)