1-[1-[2-(cyanomethylsulfanyl)phenyl]carbonylpiperidin-4-yl]-3-(4-fluorophenyl)urea

Systemtic Name: 1-[1-[2-(cyanomethylsulfanyl)phenyl]carbonylpiperidin-4-yl]-3-(4-fluorophenyl)urea Openeye Name: 1-[1-[2-(cyanomethylsulfanyl)benzoyl]-4-piperidyl]-3-(4-fluorophenyl)urea CAS Name: 1-[1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-4-piperidinyl]-3-(4-fluorophenyl)urea IUPAC Name: 1-[1-[2-(cyanomethylsulfanyl)benzoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea Traditional Name: 1-[1-[2-(cyanomethylthio)benzoyl]-4-piperidyl]-3-(4-fluorophenyl)urea Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H21FN4O2S/c22-15-5-7-16(8-6-15)24-21(28)25-17-9-12-26(13-10-17)20(27)18-3-1-2-4-19(18)29-14-11-23/h1-8,17H,9-10,12-14H2,(H2,24,25,28)