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

Systemtic Name: 3-hexyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(6-methyl-1,3-benzothiazol-2-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=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

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