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

Systemtic Name: 3-hexyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(4-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(C=CC=C4S3)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

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