N'-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: N'-[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-4-keto-3-propyl-phthalazine-1-carbohydrazide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N5O3S2/c1-2-11-27-22(30)15-8-4-3-7-14(15)20(26-27)21(29)25-24-18(28)12-31-13-19-23-16-9-5-6-10-17(16)32-19/h3-10H,2,11-13H2,1H3,(H,24,28)(H,25,29)