2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide Openeye Name: 2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-4-quinolyl)butanamide CAS Name: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(2-methyl-4-quinolyl)butyramide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C23H22N4O2S/c1-4-20(30-23-26-18-12-8-6-10-16(18)22(29)27(23)3)21(28)25-19-13-14(2)24-17-11-7-5-9-15(17)19/h5-13,20H,4H2,1-3H3,(H,24,25,28)