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

Systemtic Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]butanamide CAS Name: 4-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-benzyl-4-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]butyramide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4S/c31-24(27-17-19-8-2-1-3-9-19)14-7-15-29-25(32)22-12-4-5-13-23(22)28-26(29)35-18-20-10-6-11-21(16-20)30(33)34/h1-6,8-13,16H,7,14-15,17-18H2,(H,27,31)