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

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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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=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O4S/c1-11-8-9-16-14(10-11)19(26)23(4)20(22-16)29-13(3)18(25)21-15-6-5-7-17(12(15)2)24(27)28/h5-10,13H,1-4H3,(H,21,25)