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

Systemtic Name: N-(2-dimethylaminoethyl)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(2-dimethylaminoethyl)-2-[(4-methylphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-dimethylaminoethyl)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-2-(p-tolylthio)acetamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S3/c1-15-8-10-16(11-9-15)28-14-19(25)24(13-12-23(2)3)21-22-20-17(29-21)6-5-7-18(20)30(4,26)27/h5-11H,12-14H2,1-4H3