N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S3/c1-24(2)14-15-25(20(26)13-8-16-29-17-9-5-4-6-10-17)22-23-21-18(30-22)11-7-12-19(21)31(3,27)28/h4-7,9-12H,8,13-16H2,1-3H3