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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S3/c21-15-3-6-18-17(11-15)23-20(30-18)29-13-19(25)22-12-14-1-4-16(5-2-14)31(26,27)24-7-9-28-10-8-24/h1-6,11H,7-10,12-13H2,(H,22,25)