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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C22H15ClIN3OS2 MolecularWeight: 563.86147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClIN3OS2/c23-14-7-5-13(6-8-14)11-20(28)27-22(29)26-17-10-9-15(24)12-16(17)21-25-18-3-1-2-4-19(18)30-21/h1-10,12H,11H2,(H2,26,27,28,29)