4-[[2-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[(4-fluorophenyl)methylamino]-3-pyridyl]carbamothioylamino]piperidine-1-carboxylic acid CAS Name: 4-[[[[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[(4-fluorobenzyl)amino]-3-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid Formula: C19H22FN5O2S MolecularWeight: 403.473683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC2=C(N=CC=C2)NCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCC1NC(=S)NC2=C(N=CC=C2)NCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H22FN5O2S/c20-14-5-3-13(4-6-14)12-22-17-16(2-1-9-21-17)24-18(28)23-15-7-10-25(11-8-15)19(26)27/h1-6,9,15H,7-8,10-12H2,(H,21,22)(H,26,27)(H2,23,24,28)