tert-butyl 4-[ethanoylcarbamothioyl(phenethyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[ethanoylcarbamothioyl(phenethyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[acetylcarbamothioyl(phenethyl)amino]piperidine-1-carboxylate CAS Name: 4-[[acetamido(sulfanylidene)methyl]-phenethylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[acetylcarbamothioyl(phenethyl)amino]piperidine-1-carboxylate Traditional Name: 4-[acetylthiocarbamoyl(phenethyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)N(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC(=S)N(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O3S/c1-16(25)22-19(28)24(15-10-17-8-6-5-7-9-17)18-11-13-23(14-12-18)20(26)27-21(2,3)4/h5-9,18H,10-15H2,1-4H3,(H,22,25,28)