N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanamide Openeye Name: 2-(2-allylsulfanylbenzimidazol-1-yl)-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-[2-(prop-2-enylthio)-1-benzimidazolyl]acetamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide Traditional Name: 2-[2-(allylthio)benzimidazol-1-yl]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H24N4O4S2/c1-2-14-31-22-24-19-8-3-4-9-20(19)26(22)16-21(27)23-17-6-5-7-18(15-17)32(28,29)25-10-12-30-13-11-25/h2-9,15H,1,10-14,16H2,(H,23,27)