4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-methylbutanoyl)benzohydrazide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-methylbutanoyl)benzohydrazide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-methylbutanoyl)benzohydrazide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-(3-methyl-1-oxobutyl)benzohydrazide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-methylbutanoyl)benzohydrazide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-isovaleryl-benzohydrazide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-13(2)11-18(24)22-23-19(25)15-9-7-14(8-10-15)12-26-20-21-16-5-3-4-6-17(16)27-20/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H,23,25)