3-iodanyl-4-methoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C20H21IN2O4S MolecularWeight: 512.36121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)I

InChI

InChI=1S/C20H21IN2O4S/c1-25-18-8-7-13(10-17(18)21)19(24)23-20(28)22-14-4-2-5-15(11-14)27-12-16-6-3-9-26-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H2,22,23,24,28)