N-(2-methyl-5-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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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)N2C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H18N4O4S/c1-11-8-9-13(23(26)27)10-16(11)20-17(24)12(2)28-19-21-15-7-5-4-6-14(15)18(25)22(19)3/h4-10,12H,1-3H3,(H,20,24)