1-[(4-fluorophenyl)methyl]-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[3-(4-phenylpiperazino)propanoylamino]thiourea Formula: C21H26FN5OS MolecularWeight: 415.527443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NNC(=S)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H26FN5OS/c22-18-8-6-17(7-9-18)16-23-21(29)25-24-20(28)10-11-26-12-14-27(15-13-26)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,24,28)(H2,23,25,29)