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

Systemtic Name: N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-iodo-benzamide Formula: C17H15IN4O2S2 MolecularWeight: 498.36107

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C17H15IN4O2S2/c1-10(23)19-16(25)20-13-5-7-14(8-6-13)21-17(26)22-15(24)11-3-2-4-12(18)9-11/h2-9H,1H3,(H2,19,20,23,25)(H2,21,22,24,26)