tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(4-methylsulfanylphenyl)methylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(4-methylsulfanylphenyl)methylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(4-methylsulfanylphenyl)methylene]piperidine-1-carboxylate CAS Name: 4-[[4-[diethylamino(oxo)methyl]phenyl]-[4-(methylthio)phenyl]methylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(4-methylsulfanylphenyl)methylidene]piperidine-1-carboxylate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]-[4-(methylthio)phenyl]methylene]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H38N2O3S MolecularWeight: 494.68862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=C(C=C3)SC

InChI

InChI=1S/C29H38N2O3S/c1-7-30(8-2)27(32)24-11-9-21(10-12-24)26(22-13-15-25(35-6)16-14-22)23-17-19-31(20-18-23)28(33)34-29(3,4)5/h9-16H,7-8,17-20H2,1-6H3