[2-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [2-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-pyridyl]methanone CAS Name: [2-[(4-tert-butylphenyl)methylthio]-3-pyridinyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-[(4-tert-butylphenyl)methylsulfanyl]pyridin-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[2-[(4-tert-butylbenzyl)thio]-3-pyridyl]methanone Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N2OS/c1-29(2,3)25-13-11-24(12-14-25)21-33-27-26(10-7-17-30-27)28(32)31-18-15-23(16-19-31)20-22-8-5-4-6-9-22/h4-14,17,23H,15-16,18-21H2,1-3H3