1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-[4-(2-fluorophenyl)piperazino]propyl]-3-[4-(methylthio)phenyl]urea Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H27FN4OS/c1-28-18-9-7-17(8-10-18)24-21(27)23-11-4-12-25-13-15-26(16-14-25)20-6-3-2-5-19(20)22/h2-3,5-10H,4,11-16H2,1H3,(H2,23,24,27)