N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(2-dimethylaminoethyl)-3-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

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