N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-3-butoxy-benzamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-3-butoxybenzamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-3-butoxy-benzamide Formula: C18H18BrIN2O2S MolecularWeight: 533.22119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)I

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)I

InChI

InChI=1S/C18H18BrIN2O2S/c1-2-3-9-24-14-6-4-5-12(10-14)17(23)22-18(25)21-16-8-7-13(19)11-15(16)20/h4-8,10-11H,2-3,9H2,1H3,(H2,21,22,23,25)