N'-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanehydrazide

Systemtic Name: N'-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanehydrazide Openeye Name: N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-(2,5-dimethylphenyl)-4-oxo-butanehydrazide CAS Name: N'-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-4-(2,5-dimethylphenyl)-4-oxobutanehydrazide IUPAC Name: N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-(2,5-dimethylphenyl)-4-oxobutanehydrazide Traditional Name: N'-[2-(1,3-benzothiazol-2-ylthio)acetyl]-4-(2,5-dimethylphenyl)-4-keto-butyrohydrazide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NNC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21N3O3S2/c1-13-7-8-14(2)15(11-13)17(25)9-10-19(26)23-24-20(27)12-28-21-22-16-5-3-4-6-18(16)29-21/h3-8,11H,9-10,12H2,1-2H3,(H,23,26)(H,24,27)