N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: 3-iodo-4-methoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C23H20IN3O3S MolecularWeight: 545.39267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)I

InChI

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