2-chloranyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-iodo-benzamide Formula: C17H13ClIN3O3S2 MolecularWeight: 533.79089

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)OC

InChI

InChI=1S/C17H13ClIN3O3S2/c1-24-9-6-12(25-2)14-13(7-9)27-17(20-14)22-16(26)21-15(23)10-5-8(19)3-4-11(10)18/h3-7H,1-2H3,(H2,20,21,22,23,26)