N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-acetamide CAS Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CSC3=CC=CC=C3

InChI

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