3-butyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[4-(p-tolyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-(4-methylphenyl)-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(p-tolyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C

InChI

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