N-(2-methylquinolin-4-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methylquinolin-4-yl)-3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methyl-4-quinolyl)-3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-4-quinolinyl)-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methylquinolin-4-yl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(2-methyl-4-quinolyl)propionamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c1-18-17-24(20-11-5-7-13-22(20)28-18)29-25(32)15-16-34-27-30-23-14-8-6-12-21(23)26(33)31(27)19-9-3-2-4-10-19/h2-14,17H,15-16H2,1H3,(H,28,29,32)