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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C19H18ClN3O4S3 MolecularWeight: 484.01192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H18ClN3O4S3/c20-13-4-5-17-16(10-13)22-19(29-17)28-12-18(24)21-14-2-1-3-15(11-14)30(25,26)23-6-8-27-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24)