[4-(cyclohexylcarbonylamino)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate

Systemtic Name: [4-(cyclohexylcarbonylamino)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate Openeye Name: [4-(cyclohexanecarbonylamino)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(1H-1,2,4-triazol-5-ylthio)-1-piperidinecarboxylic acid [4-[[cyclohexyl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(cyclohexanecarbonylamino)phenyl] 4-(1H-1,2,4-triazol-5-ylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(1H-1,2,4-triazol-5-ylthio)piperidine-1-carboxylic acid [4-(cyclohexanecarbonylamino)phenyl] ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC(=O)N3CCC(CC3)SC4=NC=NN4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC(=O)N3CCC(CC3)SC4=NC=NN4

InChI

InChI=1S/C21H27N5O3S/c27-19(15-4-2-1-3-5-15)24-16-6-8-17(9-7-16)29-21(28)26-12-10-18(11-13-26)30-20-22-14-23-25-20/h6-9,14-15,18H,1-5,10-13H2,(H,24,27)(H,22,23,25)