1-[(3,4-diethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3,4-diethoxybenzyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C19H21F3N2O2S MolecularWeight: 398.44245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C(F)(F)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=S)NC2=CC=CC(=C2)C(F)(F)F)OCC

InChI

InChI=1S/C19H21F3N2O2S/c1-3-25-16-9-8-13(10-17(16)26-4-2)12-23-18(27)24-15-7-5-6-14(11-15)19(20,21)22/h5-11H,3-4,12H2,1-2H3,(H2,23,24,27)