2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

InChI

InChI=1S/C24H26N4O4S/c1-14-12-13-20(28(31)32)21(15(14)2)26-22(29)16(3)33-24-25-19-11-7-6-10-18(19)23(30)27(24)17-8-4-5-9-17/h6-7,10-13,16-17H,4-5,8-9H2,1-3H3,(H,26,29)