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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H21ClN4O4S/c1-13(20(28)24-19-11-10-15(27(30)31)12-17(19)23)32-22-25-18-9-5-4-8-16(18)21(29)26(22)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,24,28)