3-iodanyl-4-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[3-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H22IN3O2S MolecularWeight: 543.41985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22IN3O2S/c1-15-11-12-19(14-21(15)25)23(30)28-24(31)27-20-10-6-9-18(13-20)22(29)26-16(2)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,26,29)(H2,27,28,30,31)