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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

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