N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-3-hexyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-3-hexyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3-hexyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-3-hexyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3-hexyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-3-hexyl-4-keto-phthalazine-1-carbohydrazide Formula: C30H30N6O3S MolecularWeight: 554.6626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C30H30N6O3S/c1-2-3-4-9-18-36-29(39)23-11-6-5-10-22(23)26(35-36)28(38)34-33-27(37)21-16-14-20(15-17-21)19-40-30-31-24-12-7-8-13-25(24)32-30/h5-8,10-17H,2-4,9,18-19H2,1H3,(H,31,32)(H,33,37)(H,34,38)