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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CSCC2=NC3=CC=CC=C3S2

InChI

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