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

Systemtic Name: 3-iodanyl-4-methyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C18H18IN3O2S MolecularWeight: 467.32389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)I

InChI

InChI=1S/C18H18IN3O2S/c1-12-7-9-14(11-15(12)19)17(24)20-18(25)22-21-16(23)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H2,20,22,24,25)