1-(2,4-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C17H17F3N4S2 MolecularWeight: 398.46889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C17H17F3N4S2/c1-10-6-7-14(11(2)8-10)22-16(26)24-23-15(25)21-13-5-3-4-12(9-13)17(18,19)20/h3-9H,1-2H3,(H2,21,23,25)(H2,22,24,26)