N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(dimethylsulfamoyl)-4,5-dimethyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(dimethylsulfamoyl)-4,5-dimethyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(dimethylsulfamoyl)-4,5-dimethyl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(dimethylsulfamoyl)-4,5-dimethyl-benzamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H28N4O3S2/c1-14-12-16(13-20(15(14)2)31(28,29)26(3)4)22(27)25-19(10-11-30-5)21-23-17-8-6-7-9-18(17)24-21/h6-9,12-13,19H,10-11H2,1-5H3,(H,23,24)(H,25,27)/t19-/m0/s1