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

Systemtic Name: 3-iodanyl-4-methyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H24IN3O2S MolecularWeight: 557.44643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)I

InChI

InChI=1S/C25H24IN3O2S/c1-17-12-13-19(16-21(17)26)23(30)28-25(32)29(2)22-11-7-6-10-20(22)24(31)27-15-14-18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H,27,31)(H,28,30,32)