1-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C16H15F3N4OS2 MolecularWeight: 400.44171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N4OS2/c1-24-13-7-5-11(6-8-13)20-14(25)22-23-15(26)21-12-4-2-3-10(9-12)16(17,18)19/h2-9H,1H3,(H2,20,22,25)(H2,21,23,26)