N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromanyl-5-methoxy-4-propoxy-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromanyl-5-methoxy-4-propoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromo-5-methoxy-4-propoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-bromo-5-methoxy-4-propoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-bromo-5-methoxy-4-propoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-bromo-5-methoxy-4-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H26BrN3O3S/c1-4-10-29-20-15(23)12-14(13-19(20)28-2)22(27)26-18(9-11-30-3)21-24-16-7-5-6-8-17(16)25-21/h5-8,12-13,18H,4,9-11H2,1-3H3,(H,24,25)(H,26,27)/t18-/m0/s1