N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-(2-dimethylaminoethyl)-2-methylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-(2-dimethylaminoethyl)-2-mesyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H23N3O3S3/c1-22(2)11-12-23(19(24)15-7-5-6-8-18(15)29(4,25)26)20-21-16-10-9-14(27-3)13-17(16)28-20/h5-10,13H,11-12H2,1-4H3