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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-p-phenetyl-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C17H17F3N4OS2 MolecularWeight: 414.46829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N4OS2/c1-2-25-14-8-6-12(7-9-14)21-15(26)23-24-16(27)22-13-5-3-4-11(10-13)17(18,19)20/h3-10H,2H2,1H3,(H2,21,23,26)(H2,22,24,27)