N-(1,3-benzothiazol-2-ylmethyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-methyl-ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S2/c1-14(24)15-8-9-18(26-3)16(10-15)12-27-13-21(25)23(2)11-20-22-17-6-4-5-7-19(17)28-20/h4-10H,11-13H2,1-3H3