4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclooctylideneamino)benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclooctylideneamino)benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclooctylideneamino)benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(cyclooctylideneamino)benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclooctylideneamino)benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(cyclooctylideneamino)benzamide Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)CCC1

Isomeric SMILES

C1CCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)CCC1

InChI

InChI=1S/C23H25N3OS2/c27-22(26-25-19-8-4-2-1-3-5-9-19)18-14-12-17(13-15-18)16-28-23-24-20-10-6-7-11-21(20)29-23/h6-7,10-15H,1-5,8-9,16H2,(H,26,27)