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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-oxidanylidenecyclohexen-1-yl)benzohydrazide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-oxocyclohexen-1-yl)benzohydrazide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-(3-oxo-1-cyclohexenyl)benzohydrazide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(3-oxocyclohexen-1-yl)benzohydrazide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N'-(3-ketocyclohexen-1-yl)benzohydrazide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=CC(=O)C1)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O2S2/c25-17-5-3-4-16(12-17)23-24-20(26)15-10-8-14(9-11-15)13-27-21-22-18-6-1-2-7-19(18)28-21/h1-2,6-12,23H,3-5,13H2,(H,24,26)