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

Systemtic Name: 3-iodanyl-4-methyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C20H21IN2O3S MolecularWeight: 496.36181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)I

InChI

InChI=1S/C20H21IN2O3S/c1-13-7-8-14(10-18(13)21)19(24)23-20(27)22-15-4-2-5-16(11-15)26-12-17-6-3-9-25-17/h2,4-5,7-8,10-11,17H,3,6,9,12H2,1H3,(H2,22,23,24,27)