N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(4-keto-7-nitro-quinazolin-3-yl)acetamide Formula: C22H15ClN4O4S MolecularWeight: 466.8969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN4O4S/c23-14-5-8-16(9-6-14)32-20-4-2-1-3-18(20)25-21(28)12-26-13-24-19-11-15(27(30)31)7-10-17(19)22(26)29/h1-11,13H,12H2,(H,25,28)