1-[3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]thiourea

Systemtic Name: 1-[3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]thiourea Openeye Name: [3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]thiourea CAS Name: [3-[4-[4-(4-fluorophenyl)-1-piperazinyl]butoxy]phenyl]thiourea IUPAC Name: [3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]thiourea Traditional Name: [3-[4-[4-(4-fluorophenyl)piperazino]butoxy]phenyl]thiourea Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=CC(=C2)NC(=S)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=CC(=C2)NC(=S)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4OS/c22-17-6-8-19(9-7-17)26-13-11-25(12-14-26)10-1-2-15-27-20-5-3-4-18(16-20)24-21(23)28/h3-9,16H,1-2,10-15H2,(H3,23,24,28)