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

Systemtic Name: 3-iodanyl-4-methyl-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20IN3O3S MolecularWeight: 509.36057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3)I

InChI

InChI=1S/C20H20IN3O3S/c1-13-5-6-14(12-17(13)21)18(25)23-20(28)22-16-4-2-3-15(11-16)19(26)24-7-9-27-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,22,23,25,28)