1-[4,6-bis(bromanyl)-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea

Systemtic Name: 1-[4,6-bis(bromanyl)-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea Openeye Name: [4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea CAS Name: [4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea IUPAC Name: [4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea Traditional Name: [4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]thiourea Formula: C14H8Br2ClN3OS MolecularWeight: 461.55882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(C(=C(C=C3O2)Br)NC(=S)N)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(C(=C(C=C3O2)Br)NC(=S)N)Br)Cl

InChI

InChI=1S/C14H8Br2ClN3OS/c15-7-5-9-12(10(16)11(7)20-14(18)22)19-13(21-9)6-3-1-2-4-8(6)17/h1-5H,(H3,18,20,22)