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

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: 3-iodo-4-methyl-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C23H20IN3O2S MolecularWeight: 529.39327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20IN3O2S/c1-15-12-13-18(14-19(15)24)21(28)25-23(30)27-26-22(29)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,26,29)(H2,25,27,28,30)