N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-(4-mesylphenyl)acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O4S3/c1-4-25(5-2)21(27)14-30-22-24-18-11-8-16(13-19(18)31-22)23-20(26)12-15-6-9-17(10-7-15)32(3,28)29/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)