2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-methyl-amino]-N-(2,5-dimethylphenyl)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-13-8-9-14(2)16(10-13)21-18(24)11-23(3)19(25)12-26-20-22-15-6-4-5-7-17(15)27-20/h4-10H,11-12H2,1-3H3,(H,21,24)