1-(3-ethylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-ethylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[2-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[2-(4-methylpiperazino)-5-(trifluoromethyl)phenyl]thiourea Formula: C21H25F3N4S MolecularWeight: 422.51021

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCN(CC3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCN(CC3)C

InChI

InChI=1S/C21H25F3N4S/c1-3-15-5-4-6-17(13-15)25-20(29)26-18-14-16(21(22,23)24)7-8-19(18)28-11-9-27(2)10-12-28/h4-8,13-14H,3,9-12H2,1-2H3,(H2,25,26,29)