2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-ethoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-ethoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O5S3/c1-2-29-17-8-7-15(13-19(17)32(26,27)24-9-11-28-12-10-24)22-20(25)14-30-21-23-16-5-3-4-6-18(16)31-21/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)