N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetamide Formula: C20H23ClN4O3S2 MolecularWeight: 467.00462

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3S2/c1-25(30(27,28)15-9-7-14(21)8-10-15)13-19(26)22-18(11-12-29-2)20-23-16-5-3-4-6-17(16)24-20/h3-10,18H,11-13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m0/s1