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

Systemtic Name: 3-iodanyl-4-methyl-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C23H20IN3O3S MolecularWeight: 545.39267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3)I

InChI

InChI=1S/C23H20IN3O3S/c1-15-10-11-16(12-20(15)24)22(29)27-23(31)26-18-7-5-6-17(13-18)25-21(28)14-30-19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,25,28)(H2,26,27,29,31)