N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C28H20IN3O3S MolecularWeight: 605.44617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)I

InChI

InChI=1S/C28H20IN3O3S/c29-21-10-6-20(7-11-21)27-31-24-16-22(12-15-25(24)35-27)30-28(36)32-26(33)19-8-13-23(14-9-19)34-17-18-4-2-1-3-5-18/h1-16H,17H2,(H2,30,32,33,36)