1-[(2,4-dimethoxyphenyl)methyl]-1-(4-iodophenyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(2,4-dimethoxyphenyl)methyl]-1-(4-iodophenyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(2,4-dimethoxyphenyl)methyl]-1-(4-iodophenyl)thiourea CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-1-(4-iodophenyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(2,4-dimethoxyphenyl)methyl]-1-(4-iodophenyl)thiourea Traditional Name: 3-benzyl-1-(2,4-dimethoxybenzyl)-1-(4-iodophenyl)thiourea Formula: C23H23IN2O2S MolecularWeight: 518.41039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(C2=CC=C(C=C2)I)C(=S)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(C2=CC=C(C=C2)I)C(=S)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H23IN2O2S/c1-27-21-13-8-18(22(14-21)28-2)16-26(20-11-9-19(24)10-12-20)23(29)25-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,29)