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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H20IN3OS2 MolecularWeight: 605.51237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20IN3OS2/c29-20-15-16-22(21(17-20)27-30-23-13-7-8-14-24(23)35-27)31-28(34)32-26(33)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,25H,(H2,31,32,33,34)