ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(3,4-dichlorobenzyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H21Cl2N3O2S MolecularWeight: 390.32784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H21Cl2N3O2S/c1-2-23-16(22)21-7-5-12(6-8-21)20-15(24)19-10-11-3-4-13(17)14(18)9-11/h3-4,9,12H,2,5-8,10H2,1H3,(H2,19,20,24)