3-hexyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(2-methyl-1,3-benzothiazol-6-yl)phthalazine-1-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C23H24N4O2S/c1-3-4-5-8-13-27-23(29)18-10-7-6-9-17(18)21(26-27)22(28)25-16-11-12-19-20(14-16)30-15(2)24-19/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,25,28)