N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4S/c19-12-1-4-14(5-2-12)28-8-7-20-17(24)10-22-11-21-16-6-3-13(23(26)27)9-15(16)18(22)25/h1-6,9,11H,7-8,10H2,(H,20,24)