N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N4O4S/c1-2-3-10-27-22(29)16-7-5-4-6-15(16)20(26-27)21(28)25-23-24-17(12-32-23)14-8-9-18-19(11-14)31-13-30-18/h4-9,11-12H,2-3,10,13H2,1H3,(H,24,25,28)