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

Systemtic Name: 3-(4-bromophenyl)-1-(phenylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-benzyl-3-(4-bromophenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-bromophenyl)-1-(phenylmethyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-benzyl-3-(4-bromophenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-benzyl-3-(4-bromophenyl)-1-(2,4,5-trimethoxybenzyl)thiourea Formula: C24H25BrN2O3S MolecularWeight: 501.4359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O3S/c1-28-21-14-23(30-3)22(29-2)13-18(21)16-27(15-17-7-5-4-6-8-17)24(31)26-20-11-9-19(25)10-12-20/h4-14H,15-16H2,1-3H3,(H,26,31)