1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(2-fluorophenyl)-3-(4-phenoxyphenyl)thiourea Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H18FN3OS/c23-20-9-4-5-10-21(20)26(16-6-15-24)22(28)25-17-11-13-19(14-12-17)27-18-7-2-1-3-8-18/h1-5,7-14H,6,16H2,(H,25,28)