4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-5-methylhexan-2-ylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-5-methylhexan-2-ylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-1,4-dimethylpentylideneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-5-methylhexan-2-ylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-5-methylhexan-2-ylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-1,4-dimethylpentylideneamino]benzamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC/C(=N/NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2)/C

InChI

InChI=1S/C22H25N3OS2/c1-15(2)8-9-16(3)24-25-21(26)18-12-10-17(11-13-18)14-27-22-23-19-6-4-5-7-20(19)28-22/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,25,26)/b24-16+