3-(4-bromophenyl)-1-(pyridin-3-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(pyridin-3-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-(4-bromophenyl)-1-(3-pyridylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-bromophenyl)-1-(3-pyridinylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-bromophenyl)-1-(pyridin-3-ylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-(3-pyridylmethyl)-1-(2,4,5-trimethoxybenzyl)thiourea Formula: C23H24BrN3O3S MolecularWeight: 502.42396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C23H24BrN3O3S/c1-28-20-12-22(30-3)21(29-2)11-17(20)15-27(14-16-5-4-10-25-13-16)23(31)26-19-8-6-18(24)7-9-19/h4-13H,14-15H2,1-3H3,(H,26,31)