N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-4-benzyloxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-4-benzoxy-benzamide Formula: C28H20IN3O2S2 MolecularWeight: 621.51177

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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=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H20IN3O2S2/c29-20-12-15-23(22(16-20)27-30-24-8-4-5-9-25(24)36-27)31-28(35)32-26(33)19-10-13-21(14-11-19)34-17-18-6-2-1-3-7-18/h1-16H,17H2,(H2,31,32,33,35)