N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(1,3-benzothiazol-2-ylmethyl)-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S/c1-2-3-8-13-26-22(28)16-10-5-4-9-15(16)20(25-26)21(27)23-14-19-24-17-11-6-7-12-18(17)29-19/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,23,27)