1-(3-chloranyl-4-fluoranyl-phenyl)-1-[(2-hydroxyphenyl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-1-[(2-hydroxyphenyl)methyl]-3-phenethyl-thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-1-[(2-hydroxyphenyl)methyl]-3-phenethyl-thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]-3-phenethylthiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxyphenyl)methyl]-3-phenethylthiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-phenethyl-1-salicyl-thiourea Formula: C22H20ClFN2OS MolecularWeight: 414.923403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)N(CC2=CC=CC=C2O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)N(CC2=CC=CC=C2O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H20ClFN2OS/c23-19-14-18(10-11-20(19)24)26(15-17-8-4-5-9-21(17)27)22(28)25-13-12-16-6-2-1-3-7-16/h1-11,14,27H,12-13,15H2,(H,25,28)