1-[(4-bromophenyl)methyl]-3-(4-chloranyl-3-methyl-phenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-(4-chloranyl-3-methyl-phenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(4-bromophenyl)methyl]-3-(4-chloro-3-methyl-phenyl)thiourea CAS Name: 1-[(4-bromophenyl)methyl]-3-(4-chloro-3-methylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(4-bromophenyl)methyl]-3-(4-chloro-3-methylphenyl)thiourea Traditional Name: 1-benzyl-1-(4-bromobenzyl)-3-(4-chloro-3-methyl-phenyl)thiourea Formula: C22H20BrClN2S MolecularWeight: 459.8296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C22H20BrClN2S/c1-16-13-20(11-12-21(16)24)25-22(27)26(14-17-5-3-2-4-6-17)15-18-7-9-19(23)10-8-18/h2-13H,14-15H2,1H3,(H,25,27)