N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(2-methylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(2-methylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-methyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(N-mesyl-2-methyl-anilino)acetamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S2/c1-15-8-4-7-11-19(15)25(30(3,27)28)14-20(26)22-18(12-13-29-2)21-23-16-9-5-6-10-17(16)24-21/h4-11,18H,12-14H2,1-3H3,(H,22,26)(H,23,24)/t18-/m0/s1