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

Systemtic Name: (2R)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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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)N2C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C18H16N4O4S/c1-11(16(23)19-14-9-5-6-10-15(14)22(25)26)27-18-20-13-8-4-3-7-12(13)17(24)21(18)2/h3-11H,1-2H3,(H,19,23)/t11-/m1/s1