1-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]thiourea

Systemtic Name: 1-[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]thiourea Openeye Name: [2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiourea CAS Name: [2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiourea IUPAC Name: [2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiourea Traditional Name: [2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiourea Formula: C14H10IN3OS MolecularWeight: 395.21817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC(=S)N

InChI

InChI=1S/C14H10IN3OS/c15-9-3-1-2-8(6-9)13-18-11-7-10(17-14(16)20)4-5-12(11)19-13/h1-7H,(H3,16,17,20)