N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[3-(1,3-benzothiazol-2-yl)propyl]-4-keto-phthalazine-1-carboxamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N4O2S/c1-2-3-8-16-28-24(30)18-11-5-4-10-17(18)22(27-28)23(29)25-15-9-14-21-26-19-12-6-7-13-20(19)31-21/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,25,29)