4-oxidanylidene-3-pentyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H24N4O2S/c1-2-3-8-13-25-20(27)15-10-5-4-9-14(15)18(24-25)19(26)23-21-22-16-11-6-7-12-17(16)28-21/h4-5,9-10H,2-3,6-8,11-13H2,1H3,(H,22,23,26)