3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-methyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4,5-dimethoxy-2-methyl-benzyl)-N-methyl-propionamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)CCSC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)CCSC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C21H24N2O3S2/c1-14-11-17(25-3)18(26-4)12-15(14)13-23(2)20(24)9-10-27-21-22-16-7-5-6-8-19(16)28-21/h5-8,11-12H,9-10,13H2,1-4H3