2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-12(18(25)21-16-8-4-5-9-17(16)24(27)28)29-20-22-15-7-3-2-6-14(15)19(26)23(20)13-10-11-13/h2-9,12-13H,10-11H2,1H3,(H,21,25)