N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-bromanyl-4-methoxy-phenyl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-bromo-4-methoxy-phenyl)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-bromo-4-methoxyphenyl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3-bromo-4-methoxyphenyl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-bromo-4-methoxy-phenyl)propionamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-27-19-9-7-14(13-15(19)22)8-10-20(26)23-18(11-12-28-2)21-24-16-5-3-4-6-17(16)25-21/h3-7,9,13,18H,8,10-12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1