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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H26FN5OS/c1-16-7-8-17(15-19(16)22)23-21(29)25-24-20(28)9-10-26-11-13-27(14-12-26)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,24,28)(H2,23,25,29)