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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3S/c1-3-12-28-22(31)18-7-5-4-6-17(18)20(27-28)21(30)26-23-25-19(13-32-23)15-8-10-16(11-9-15)24-14(2)29/h4-11,13H,3,12H2,1-2H3,(H,24,29)(H,25,26,30)