(2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(1-allylbenzimidazol-2-yl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide CAS Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(1-allylbenzimidazol-2-yl)thio]-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C22H26N4O3S2/c1-6-13-26-20-10-8-7-9-18(20)24-22(26)30-16(3)21(27)23-19-14-17(12-11-15(19)2)31(28,29)25(4)5/h6-12,14,16H,1,13H2,2-5H3,(H,23,27)/t16-/m0/s1