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

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

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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=CC=C3SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3SC

InChI

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