N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-(2-diethylaminoethyl)-2-methylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-2-mesyl-N-[6-(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=C(C=C2)SC)C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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