1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]-2-methyl-phenyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]-2-methyl-phenyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]-2-methyl-phenyl]thiourea CAS Name: 1-[3-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-2-methylphenyl]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)carbamothioylamino]-2-methylphenyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[3-[(4-fluorophenyl)thiocarbamoylamino]-2-methyl-phenyl]thiourea Formula: C21H18F2N4S2 MolecularWeight: 428.521226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18F2N4S2/c1-13-18(26-20(28)24-16-9-5-14(22)6-10-16)3-2-4-19(13)27-21(29)25-17-11-7-15(23)8-12-17/h2-12H,1H3,(H2,24,26,28)(H2,25,27,29)