1-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-[(3,5-dibromo-2-hydroxy-phenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenyl-thiourea CAS Name: 1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylthiourea Traditional Name: 1-(3,5-dibromo-2-hydroxy-benzyl)-1-(4-hydroxybenzyl)-3-phenyl-thiourea Formula: C21H18Br2N2O2S MolecularWeight: 522.25282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)O)CC3=CC(=CC(=C3O)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)O)CC3=CC(=CC(=C3O)Br)Br

InChI

InChI=1S/C21H18Br2N2O2S/c22-16-10-15(20(27)19(23)11-16)13-25(12-14-6-8-18(26)9-7-14)21(28)24-17-4-2-1-3-5-17/h1-11,26-27H,12-13H2,(H,24,28)