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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-2-3-4-9-14-26-21(28)16-11-6-5-10-15(16)19(25-26)20(27)24-22-23-17-12-7-8-13-18(17)29-22/h5-8,10-13H,2-4,9,14H2,1H3,(H,23,24,27)