1-(2-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[(2-methylanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-(o-tolyl)-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C16H15F3N4S2 MolecularWeight: 384.44231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N4S2/c1-10-5-2-3-8-13(10)21-15(25)23-22-14(24)20-12-7-4-6-11(9-12)16(17,18)19/h2-9H,1H3,(H2,20,22,24)(H2,21,23,25)