tert-butyl 4-[[(3-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(3-chloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-chlorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-chlorophenyl)thiocarbamoylamino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN4O3S MolecularWeight: 412.9341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H25ClN4O3S/c1-18(2,3)26-17(25)23-9-7-12(8-10-23)15(24)21-22-16(27)20-14-6-4-5-13(19)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)(H2,20,22,27)