2-chloranyl-5-iodanyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H17ClIN3O2S MolecularWeight: 501.76895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClIN3O2S/c1-10(2)16(24)21-12-4-3-5-13(9-12)22-18(26)23-17(25)14-8-11(20)6-7-15(14)19/h3-10H,1-2H3,(H,21,24)(H2,22,23,25,26)