6-(1,3-benzothiazol-2-yl)-N-[2-(phenylmethylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(phenylmethylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-(2-benzylsulfanylethyl)cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(phenylmethylthio)ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-(2-benzylsulfanylethyl)cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(benzylthio)ethyl]cyclohex-3-ene-1-carboxamide Formula: C23H24N2OS2 MolecularWeight: 408.57946

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C23H24N2OS2/c26-22(24-14-15-27-16-17-8-2-1-3-9-17)18-10-4-5-11-19(18)23-25-20-12-6-7-13-21(20)28-23/h1-9,12-13,18-19H,10-11,14-16H2,(H,24,26)