N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H12IN3O2S2 MolecularWeight: 505.35195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C19H12IN3O2S2/c20-12-4-1-3-11(9-12)18-22-14-10-13(6-7-15(14)25-18)21-19(26)23-17(24)16-5-2-8-27-16/h1-10H,(H2,21,23,24,26)