tert-butyl 4-[4-[1-(4-propan-2-ylsulfanylphenyl)ethylidene]piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[1-(4-propan-2-ylsulfanylphenyl)ethylidene]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[1-(4-isopropylsulfanylphenyl)ethylidene]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[1-[4-(propan-2-ylthio)phenyl]ethylidene]-1-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[1-(4-propan-2-ylsulfanylphenyl)ethylidene]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[1-[4-(isopropylthio)phenyl]ethylidene]piperidino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H40N2O2S MolecularWeight: 444.673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(=C2CCN(CC2)C3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=C2CCN(CC2)C3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C26H40N2O2S/c1-19(2)31-24-9-7-21(8-10-24)20(3)22-11-15-27(16-12-22)23-13-17-28(18-14-23)25(29)30-26(4,5)6/h7-10,19,23H,11-18H2,1-6H3