1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-[(5-bromo-2-hydroxy-phenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenyl-thiourea CAS Name: 1-[(5-bromo-2-hydroxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(5-bromo-2-hydroxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-phenylthiourea Traditional Name: 1-(5-bromo-2-hydroxy-benzyl)-1-(4-fluorobenzyl)-3-phenyl-thiourea Formula: C21H18BrFN2OS MolecularWeight: 445.347823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)F)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)F)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H18BrFN2OS/c22-17-8-11-20(26)16(12-17)14-25(13-15-6-9-18(23)10-7-15)21(27)24-19-4-2-1-3-5-19/h1-12,26H,13-14H2,(H,24,27)