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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-butoxy-3-methoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-butoxy-3-methoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-butoxy-3-methoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-butoxy-3-methoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-butoxy-3-methoxy-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C23H29N3O3S/c1-4-5-13-29-20-11-10-16(15-21(20)28-2)23(27)26-19(12-14-30-3)22-24-17-8-6-7-9-18(17)25-22/h6-11,15,19H,4-5,12-14H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1