ethyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C17H24ClN3O4S MolecularWeight: 401.90816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C17H24ClN3O4S/c1-4-25-17(22)21-7-5-11(6-8-21)19-16(26)20-13-10-14(23-2)12(18)9-15(13)24-3/h9-11H,4-8H2,1-3H3,(H2,19,20,26)