tert-butyl 4-[[(2-methoxyphenyl)carbothioylamino]methyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-methoxyphenyl)carbothioylamino]methyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(2-methoxybenzenecarbothioyl)amino]methyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[[(2-methoxyphenyl)-sulfanylidenemethyl]amino]methyl]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2-methoxybenzenecarbothioyl)amino]methyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[(2-methoxythiobenzoyl)amino]methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CNC(=S)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CNC(=S)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O3S/c1-24(2,3)30-23(28)27-16-14-25(15-17-27,19-10-6-5-7-11-19)18-26-22(31)20-12-8-9-13-21(20)29-4/h5-13H,14-18H2,1-4H3,(H,26,31)