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

Systemtic Name: 3-butoxy-N-[(2-chloranyl-4-iodanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-chloro-4-iodo-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-chloro-4-iodoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-chloro-4-iodo-phenyl)thiocarbamoyl]benzamide Formula: C18H18ClIN2O2S MolecularWeight: 488.77019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClIN2O2S/c1-2-3-9-24-14-6-4-5-12(10-14)17(23)22-18(25)21-16-8-7-13(20)11-15(16)19/h4-8,10-11H,2-3,9H2,1H3,(H2,21,22,23,25)