N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-tosyl-propionamide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C22H27N3O3S3/c1-16-5-8-18(9-6-16)31(27,28)14-11-21(26)25(13-12-24(2)3)22-23-19-10-7-17(29-4)15-20(19)30-22/h5-10,15H,11-14H2,1-4H3