2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-methyl-2-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-methyl-2-morpholinosulfonyl-phenyl)acetamide Formula: C20H20ClN3O4S3 MolecularWeight: 498.0385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H20ClN3O4S3/c1-13-2-4-15(18(10-13)31(26,27)24-6-8-28-9-7-24)22-19(25)12-29-20-23-16-11-14(21)3-5-17(16)30-20/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)