1,3,4-thiadiazol-2-yl 4-[4-(7-methoxyheptoxy)cyclohexyl]-2-phenyl-3-piperazin-1-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-[4-(7-methoxyheptoxy)cyclohexyl]-2-phenyl-3-piperazin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-[4-(7-methoxyheptoxy)cyclohexyl]-2-phenyl-3-piperazin-1-yl-benzoate CAS Name: 4-[4-(7-methoxyheptoxy)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-(7-methoxyheptoxy)cyclohexyl]-2-phenyl-3-piperazin-1-ylbenzoate Traditional Name: 4-[4-(7-methoxyheptoxy)cyclohexyl]-2-phenyl-3-piperazino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C33H44N4O4S MolecularWeight: 592.79186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCOC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

COCCCCCCCOC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C33H44N4O4S/c1-39-22-8-3-2-4-9-23-40-27-14-12-25(13-15-27)28-16-17-29(32(38)41-33-36-35-24-42-33)30(26-10-6-5-7-11-26)31(28)37-20-18-34-19-21-37/h5-7,10-11,16-17,24-25,27,34H,2-4,8-9,12-15,18-23H2,1H3