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

Systemtic Name: 1-[(3-bromanyl-2-oxidanyl-phenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-[(3-bromo-2-hydroxy-phenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenyl-thiourea CAS Name: 1-[(3-bromo-2-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylthiourea IUPAC Name: 1-[(3-bromo-2-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylthiourea Traditional Name: 1-(3-bromo-2-hydroxy-benzyl)-1-(4-hydroxybenzyl)-3-phenyl-thiourea Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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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=C(C(=CC=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)O)CC3=C(C(=CC=C3)Br)O

InChI

InChI=1S/C21H19BrN2O2S/c22-19-8-4-5-16(20(19)26)14-24(13-15-9-11-18(25)12-10-15)21(27)23-17-6-2-1-3-7-17/h1-12,25-26H,13-14H2,(H,23,27)