ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-fluoro-phenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-(2-dimethylaminoethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-fluorophenyl)carbamothioyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl-(2-dimethylaminoethyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H28ClFN4O2S MolecularWeight: 430.967623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CCN(C)C)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H28ClFN4O2S/c1-4-27-19(26)24-9-7-15(8-10-24)25(12-11-23(2)3)18(28)22-14-5-6-17(21)16(20)13-14/h5-6,13,15H,4,7-12H2,1-3H3,(H,22,28)