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

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CC

InChI

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