2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-14-7-9-15(10-8-14)21-18(24)11-23(2)20(25)13-26-12-19-22-16-5-3-4-6-17(16)27-19/h3-10H,11-13H2,1-2H3,(H,21,24)