ethyl 4-[[5-chloranyl-2-[(4-fluorophenyl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-chloranyl-2-[(4-fluorophenyl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-chloro-2-[(4-fluorophenyl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[5-chloro-2-[(4-fluorophenyl)methylamino]anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-2-[(4-fluorophenyl)methylamino]phenyl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[5-chloro-2-[(4-fluorobenzyl)amino]phenyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H26ClFN4O2S MolecularWeight: 464.983843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)Cl)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)Cl)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26ClFN4O2S/c1-2-30-22(29)28-11-9-18(10-12-28)26-21(31)27-20-13-16(23)5-8-19(20)25-14-15-3-6-17(24)7-4-15/h3-8,13,18,25H,2,9-12,14H2,1H3,(H2,26,27,31)