tert-butyl 3-benzamido-3-[methyl(phenyl)carbamothioyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-benzamido-3-[methyl(phenyl)carbamothioyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-benzamido-3-[methyl(phenyl)carbamothioyl]piperidine-1-carboxylate CAS Name: 3-benzamido-3-[(N-methylanilino)-sulfanylidenemethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzamido-3-[methyl(phenyl)carbamothioyl]piperidine-1-carboxylate Traditional Name: 3-benzamido-3-[methyl(phenyl)thiocarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(C(=S)N(C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(C(=S)N(C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3S/c1-24(2,3)31-23(30)28-17-11-16-25(18-28,26-21(29)19-12-7-5-8-13-19)22(32)27(4)20-14-9-6-10-15-20/h5-10,12-15H,11,16-18H2,1-4H3,(H,26,29)