ethyl 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[1-[(1,4-dimethyl-3-indolyl)methyl]-2-benzimidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[[1-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-yl]thio]butyric acid ethyl ester Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2N1CC3=CN(C4=CC=CC(=C43)C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2N1CC3=CN(C4=CC=CC(=C43)C)C

InChI

InChI=1S/C24H27N3O2S/c1-4-29-22(28)13-8-14-30-24-25-19-10-5-6-11-20(19)27(24)16-18-15-26(3)21-12-7-9-17(2)23(18)21/h5-7,9-12,15H,4,8,13-14,16H2,1-3H3