2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C22H25N3O5S3 MolecularWeight: 507.646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O5S3/c1-3-30-17-6-9-19-20(14-17)32-22(24-19)31-15(2)21(26)23-16-4-7-18(8-5-16)33(27,28)25-10-12-29-13-11-25/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)