N-(3-nitrophenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c28-21(24-17-9-6-10-18(13-17)27(30)31)15-32-23-25-20-12-5-4-11-19(20)22(29)26(23)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,28)