N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[methyl(2-thienylsulfonyl)amino]acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[methyl(2-thienylsulfonyl)amino]acetamide Formula: C18H22N4O3S3 MolecularWeight: 438.58728

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CC(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N4O3S3/c1-22(28(24,25)17-8-5-10-27-17)12-16(23)19-15(9-11-26-2)18-20-13-6-3-4-7-14(13)21-18/h3-8,10,15H,9,11-12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m0/s1