1-[3-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentoxy]phenyl]thiourea

Systemtic Name: 1-[3-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentoxy]phenyl]thiourea Openeye Name: [3-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentoxy]phenyl]thiourea CAS Name: [3-[5-[4-(4-fluorophenyl)-1-piperazinyl]pentoxy]phenyl]thiourea IUPAC Name: [3-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentoxy]phenyl]thiourea Traditional Name: [3-[5-[4-(4-fluorophenyl)piperazino]pentoxy]phenyl]thiourea Formula: C22H29FN4OS MolecularWeight: 416.555263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCOC2=CC=CC(=C2)NC(=S)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CCCCCOC2=CC=CC(=C2)NC(=S)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN4OS/c23-18-7-9-20(10-8-18)27-14-12-26(13-15-27)11-2-1-3-16-28-21-6-4-5-19(17-21)25-22(24)29/h4-10,17H,1-3,11-16H2,(H3,24,25,29)