2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-14-7-6-8-15(2)21(14)23-18(25)11-24(3)20(26)13-27-12-19-22-16-9-4-5-10-17(16)28-19/h4-10H,11-13H2,1-3H3,(H,23,25)