1-(2-cyanoethyl)-3-(phenylmethyl)-1-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(phenylmethyl)-1-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 3-benzyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-cyanoethyl)-3-(phenylmethyl)-1-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 3-benzyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 3-benzyl-1-(2-cyanoethyl)-1-[3-(trifluoromethyl)phenyl]thiourea Formula: C18H16F3N3S MolecularWeight: 363.39995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)N(CCC#N)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N(CCC#N)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H16F3N3S/c19-18(20,21)15-8-4-9-16(12-15)24(11-5-10-22)17(25)23-13-14-6-2-1-3-7-14/h1-4,6-9,12H,5,11,13H2,(H,23,25)