2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H20N4O4S/c1-12-16(8-5-9-18(12)25(28)29)22-19(26)13(2)30-21-23-17-7-4-3-6-15(17)20(27)24(21)14-10-11-14/h3-9,13-14H,10-11H2,1-2H3,(H,22,26)