4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[3-(1,3-benzothiazol-2-ylthio)propanoyl-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)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CCSC2=NC3=CC=CC=C3S2

InChI

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