tert-butyl 4-[[(4-methoxyphenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(4-methoxyphenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(4-methoxyphenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4-methoxyphenyl)methylcarbamothioylamino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(p-anisylthiocarbamoylamino)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H30N4O4S/c1-20(2,3)28-19(26)24-11-9-15(10-12-24)17(25)22-23-18(29)21-13-14-5-7-16(27-4)8-6-14/h5-8,15H,9-13H2,1-4H3,(H,22,25)(H2,21,23,29)