4-[3-[4-(5-methoxypentoxymethyl)piperidin-1-yl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: 4-[3-[4-(5-methoxypentoxymethyl)piperidin-1-yl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: 4-[3-[4-(5-methoxypentoxymethyl)-1-piperidyl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[3-[4-(5-methoxypentoxymethyl)-1-piperidinyl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoate IUPAC Name: 4-[3-[4-(5-methoxypentoxymethyl)piperidin-1-yl]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[3-[4-(5-methoxypentoxymethyl)piperidino]-5-phenyl-2H-1,3,4-thiadiazol-2-yl]benzoate Formula: C27H34N3O4S- MolecularWeight: 496.64156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCOCC1CCN(CC1)N2C(SC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

COCCCCCOCC1CCN(CC1)N2C(SC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C27H35N3O4S/c1-33-18-6-3-7-19-34-20-21-14-16-29(17-15-21)30-26(23-10-12-24(13-11-23)27(31)32)35-25(28-30)22-8-4-2-5-9-22/h2,4-5,8-13,21,26H,3,6-7,14-20H2,1H3,(H,31,32)/p-1