1,3,4-thiadiazol-2-yl 4-[4-(8-methoxyoctoxy)cyclohexyl]-2-phenyl-3-piperazin-1-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-[4-(8-methoxyoctoxy)cyclohexyl]-2-phenyl-3-piperazin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-[4-(8-methoxyoctoxy)cyclohexyl]-2-phenyl-3-piperazin-1-yl-benzoate CAS Name: 4-[4-(8-methoxyoctoxy)cyclohexyl]-2-phenyl-3-(1-piperazinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-[4-(8-methoxyoctoxy)cyclohexyl]-2-phenyl-3-piperazin-1-ylbenzoate Traditional Name: 4-[4-(8-methoxyoctoxy)cyclohexyl]-2-phenyl-3-piperazino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C34H46N4O4S MolecularWeight: 606.81844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCOC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

COCCCCCCCCOC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C34H46N4O4S/c1-40-23-9-4-2-3-5-10-24-41-28-15-13-26(14-16-28)29-17-18-30(33(39)42-34-37-36-25-43-34)31(27-11-7-6-8-12-27)32(29)38-21-19-35-20-22-38/h6-8,11-12,17-18,25-26,28,35H,2-5,9-10,13-16,19-24H2,1H3