N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C23H16ClN3O4S/c24-14-6-8-17-18(10-14)26-23(27(22(17)29)16-4-2-1-3-5-16)32-12-21(28)25-15-7-9-19-20(11-15)31-13-30-19/h1-11H,12-13H2,(H,25,28)