ethyl 1-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C30H37N3O3S MolecularWeight: 519.69808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCC(=O)N2CCC(CC2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3O3S/c1-3-19-33-28(24-14-9-6-10-15-24)27(23-12-7-5-8-13-23)31-30(33)37-22-11-16-26(34)32-20-17-25(18-21-32)29(35)36-4-2/h5-10,12-15,25H,3-4,11,16-22H2,1-2H3