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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-3-methylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-3-mesyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]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=C2SC)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

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