N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O4S3/c1-29-21-23-18-8-5-16(14-19(18)30-21)22-20(25)9-4-15-2-6-17(7-3-15)31(26,27)24-10-12-28-13-11-24/h2-3,5-8,14H,4,9-13H2,1H3,(H,22,25)