3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]thiourea CAS Name: 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]thiourea Traditional Name: 1-benzyl-3-(3-chlorophenyl)-1-veratryl-thiourea Formula: C23H23ClN2O2S MolecularWeight: 426.95892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C23H23ClN2O2S/c1-27-21-12-11-18(13-22(21)28-2)16-26(15-17-7-4-3-5-8-17)23(29)25-20-10-6-9-19(24)14-20/h3-14H,15-16H2,1-2H3,(H,25,29)