N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-(2-diethylaminoethyl)-2-(4-methylsulfonylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-(2-diethylaminoethyl)-2-(4-mesylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]acetamide Formula: C23H29N3O3S3 MolecularWeight: 491.68966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O3S3/c1-5-25(6-2)13-14-26(23-24-20-12-9-18(30-3)16-21(20)31-23)22(27)15-17-7-10-19(11-8-17)32(4,28)29/h7-12,16H,5-6,13-15H2,1-4H3