ethyl 4-[[2-[(3-chlorophenyl)amino]-2-sulfanylidene-ethyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(3-chlorophenyl)amino]-2-sulfanylidene-ethyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-chloroanilino)-2-thioxo-ethyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(3-chloroanilino)-2-sulfanylideneethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-chloroanilino)-2-sulfanylideneethyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(3-chloroanilino)-2-thioxo-ethyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O2S MolecularWeight: 355.88278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H22ClN3O2S/c1-2-22-16(21)20-8-6-13(7-9-20)18-11-15(23)19-14-5-3-4-12(17)10-14/h3-5,10,13,18H,2,6-9,11H2,1H3,(H,19,23)