[4-[[4-(morpholin-4-ylmethyl)phenyl]carbonylamino]phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate

Systemtic Name: [4-[[4-(morpholin-4-ylmethyl)phenyl]carbonylamino]phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate Openeye Name: [4-[[4-(morpholinomethyl)benzoyl]amino]phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(1H-imidazol-2-ylthio)-1-piperidinecarboxylic acid [4-[[[4-(4-morpholinylmethyl)phenyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(1H-imidazol-2-ylthio)piperidine-1-carboxylic acid [4-[[4-(morpholinomethyl)benzoyl]amino]phenyl] ester Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC=CN2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5CCOCC5

Isomeric SMILES

C1CN(CCC1SC2=NC=CN2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5CCOCC5

InChI

InChI=1S/C27H31N5O4S/c33-25(21-3-1-20(2-4-21)19-31-15-17-35-18-16-31)30-22-5-7-23(8-6-22)36-27(34)32-13-9-24(10-14-32)37-26-28-11-12-29-26/h1-8,11-12,24H,9-10,13-19H2,(H,28,29)(H,30,33)