N-(4-chloranyl-3-nitro-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4S/c22-16-10-9-13(11-18(16)26(29)30)23-19(27)12-31-21-24-17-8-4-3-7-15(17)20(28)25(21)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,23,27)