2-chloranyl-5-iodanyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C17H15ClIN3O2S MolecularWeight: 487.74237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClIN3O2S/c1-2-15(23)20-11-4-6-12(7-5-11)21-17(25)22-16(24)13-9-10(19)3-8-14(13)18/h3-9H,2H2,1H3,(H,20,23)(H2,21,22,24,25)