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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromanyl-4-ethoxy-5-methoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-bromo-4-ethoxy-5-methoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-bromo-4-ethoxy-5-methoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-bromo-4-ethoxy-5-methoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-bromo-4-ethoxy-5-methoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H24BrN3O3S/c1-4-28-19-14(22)11-13(12-18(19)27-2)21(26)25-17(9-10-29-3)20-23-15-7-5-6-8-16(15)24-20/h5-8,11-12,17H,4,9-10H2,1-3H3,(H,23,24)(H,25,26)/t17-/m0/s1