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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-butoxy-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-butoxy-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-butoxybenzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-butoxybenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-butoxy-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-3-4-14-27-17-11-9-16(10-12-17)22(26)25-20(13-15-28-2)21-23-18-7-5-6-8-19(18)24-21/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,24)(H,25,26)