4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(4-oxidanylidene-4-phenyl-butanoyl)benzohydrazide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(4-oxidanylidene-4-phenyl-butanoyl)benzohydrazide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(4-oxo-4-phenyl-butanoyl)benzohydrazide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-(1,4-dioxo-4-phenylbutyl)benzohydrazide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-(4-keto-4-phenyl-butanoyl)benzohydrazide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21N3O3S2/c29-21(18-6-2-1-3-7-18)14-15-23(30)27-28-24(31)19-12-10-17(11-13-19)16-32-25-26-20-8-4-5-9-22(20)33-25/h1-13H,14-16H2,(H,27,30)(H,28,31)