1,3,4-thiadiazol-2-yl 4-(cyclohexylmethyl)-2-phenyl-3-piperazin-1-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-(cyclohexylmethyl)-2-phenyl-3-piperazin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-(cyclohexylmethyl)-2-phenyl-3-piperazin-1-yl-benzoate CAS Name: 4-(cyclohexylmethyl)-2-phenyl-3-(1-piperazinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-(cyclohexylmethyl)-2-phenyl-3-piperazin-1-ylbenzoate Traditional Name: 4-(cyclohexylmethyl)-2-phenyl-3-piperazino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C26H30N4O2S MolecularWeight: 462.607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

C1CCC(CC1)CC2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C26H30N4O2S/c31-25(32-26-29-28-18-33-26)22-12-11-21(17-19-7-3-1-4-8-19)24(30-15-13-27-14-16-30)23(22)20-9-5-2-6-10-20/h2,5-6,9-12,18-19,27H,1,3-4,7-8,13-17H2