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

Systemtic Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[3-[4-(4-fluorophenyl)piperazino]propyl]-3-[3-(methylthio)phenyl]thiourea Formula: C21H27FN4S2 MolecularWeight: 418.594283

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4S2/c1-28-20-5-2-4-18(16-20)24-21(27)23-10-3-11-25-12-14-26(15-13-25)19-8-6-17(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H2,23,24,27)