N-(2-dimethylaminoethyl)-2-(4-ethylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-(4-ethylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-dimethylaminoethyl)-2-(4-ethylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-dimethylaminoethyl)-2-[4-(ethylthio)phenyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-dimethylaminoethyl)-2-(4-ethylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-dimethylaminoethyl)-2-[4-(ethylthio)phenyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O3S3/c1-5-29-17-8-6-16(7-9-17)14-21(26)25(13-12-24(2)3)22-23-19-11-10-18(31(4,27)28)15-20(19)30-22/h6-11,15H,5,12-14H2,1-4H3