N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C17H14F3IN2O3S MolecularWeight: 510.26934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)OC

InChI

InChI=1S/C17H14F3IN2O3S/c1-25-13-6-3-9(7-14(13)26-2)15(24)23-16(27)22-12-5-4-10(21)8-11(12)17(18,19)20/h3-8H,1-2H3,(H2,22,23,24,27)