1-[4-nitro-2-(trifluoromethyl)phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-phenethylthiourea Traditional Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-phenethyl-thiourea Formula: C16H14F3N3O2S MolecularWeight: 369.36147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H14F3N3O2S/c17-16(18,19)13-10-12(22(23)24)6-7-14(13)21-15(25)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,20,21,25)