3-iodanyl-4-methoxy-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20IN3O4S MolecularWeight: 525.35997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3)I

InChI

InChI=1S/C20H20IN3O4S/c1-27-17-6-5-13(12-16(17)21)18(25)23-20(29)22-15-4-2-3-14(11-15)19(26)24-7-9-28-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,22,23,25,29)