N-(2-diethylaminoethyl)-4-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-4-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(methylthio)benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-methylsulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-4-(methylthio)benzamide 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)C3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S3/c1-5-24(6-2)14-15-25(21(26)16-10-12-17(29-3)13-11-16)22-23-20-18(30-22)8-7-9-19(20)31(4,27)28/h7-13H,5-6,14-15H2,1-4H3