[4-[[4-(piperidin-1-ylmethyl)phenyl]carbonylamino]phenyl] 4-(1-methylimidazol-2-yl)sulfanylpiperidine-1-carboxylate

Systemtic Name: [4-[[4-(piperidin-1-ylmethyl)phenyl]carbonylamino]phenyl] 4-(1-methylimidazol-2-yl)sulfanylpiperidine-1-carboxylate Openeye Name: [4-[[4-(1-piperidylmethyl)benzoyl]amino]phenyl] 4-(1-methylimidazol-2-yl)sulfanylpiperidine-1-carboxylate CAS Name: 4-[(1-methyl-2-imidazolyl)thio]-1-piperidinecarboxylic acid [4-[[oxo-[4-(1-piperidinylmethyl)phenyl]methyl]amino]phenyl] ester IUPAC Name: [4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]phenyl] 4-(1-methylimidazol-2-yl)sulfanylpiperidine-1-carboxylate Traditional Name: 4-[(1-methylimidazol-2-yl)thio]piperidine-1-carboxylic acid [4-[[4-(piperidinomethyl)benzoyl]amino]phenyl] ester Formula: C29H35N5O3S MolecularWeight: 533.6849

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2CCN(CC2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CN1C=CN=C1SC2CCN(CC2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C29H35N5O3S/c1-32-20-15-30-28(32)38-26-13-18-34(19-14-26)29(36)37-25-11-9-24(10-12-25)31-27(35)23-7-5-22(6-8-23)21-33-16-3-2-4-17-33/h5-12,15,20,26H,2-4,13-14,16-19,21H2,1H3,(H,31,35)