N-(2,3-dimethyl-6-nitro-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-11-6-8-16-15(10-11)20(27)24(5)21(22-16)30-14(4)19(26)23-18-13(3)12(2)7-9-17(18)25(28)29/h6-10,14H,1-5H3,(H,23,26)