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

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H20N4O5S/c1-12(19(26)22-17-10-9-14(30-2)11-18(17)25(28)29)31-21-23-16-6-4-3-5-15(16)20(27)24(21)13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H,22,26)