ethyl 4-[[(2-aminophenyl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(2-aminophenyl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(2-aminophenyl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-amino-N-[(4-fluorophenyl)methyl]anilino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2-aminophenyl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(2-aminophenyl)-(4-fluorobenzyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27FN4O2S MolecularWeight: 430.538783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)N(CC2=CC=C(C=C2)F)C3=CC=CC=C3N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)N(CC2=CC=C(C=C2)F)C3=CC=CC=C3N

InChI

InChI=1S/C22H27FN4O2S/c1-2-29-22(28)26-13-11-18(12-14-26)25-21(30)27(20-6-4-3-5-19(20)24)15-16-7-9-17(23)10-8-16/h3-10,18H,2,11-15,24H2,1H3,(H,25,30)