6-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)hexanamide

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)hexanamide Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)hexanamide CAS Name: 6-(1,3-benzothiazol-2-ylthio)-N-(3,4,5-trimethoxyphenyl)hexanamide IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4,5-trimethoxyphenyl)hexanamide Traditional Name: 6-(1,3-benzothiazol-2-ylthio)-N-(3,4,5-trimethoxyphenyl)hexanamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H26N2O4S2/c1-26-17-13-15(14-18(27-2)21(17)28-3)23-20(25)11-5-4-8-12-29-22-24-16-9-6-7-10-19(16)30-22/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,23,25)