N-[3-[[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]carbonylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]carbonylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(2-methyl-4-oxo-quinazolin-3-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[4-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-oxomethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-(4-keto-2-methyl-quinazolin-3-yl)benzoyl]amino]phenyl]thiophene-2-carboxamide Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H20N4O3S/c1-17-28-23-9-3-2-8-22(23)27(34)31(17)21-13-11-18(12-14-21)25(32)29-19-6-4-7-20(16-19)30-26(33)24-10-5-15-35-24/h2-16H,1H3,(H,29,32)(H,30,33)