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

Systemtic Name: 3-iodanyl-4-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-3-iodo-4-methyl-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)NC(=O)CCC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)I

InChI

InChI=1S/C24H22IN3O2S/c1-16-10-12-18(14-21(16)25)23(30)28-24(31)27-20-9-5-8-19(15-20)26-22(29)13-11-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13H2,1H3,(H,26,29)(H2,27,28,30,31)