2-chloranyl-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-mesyl-benzamide Formula: C21H22ClN3O4S3 MolecularWeight: 512.06508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S3/c1-4-25(5-2)19(26)12-30-21-24-17-9-6-13(10-18(17)31-21)23-20(27)15-8-7-14(11-16(15)22)32(3,28)29/h6-11H,4-5,12H2,1-3H3,(H,23,27)