N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]-5-iodo-benzamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: 2-chloro-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]-5-iodo-benzamide Formula: C18H18ClIN2O2S MolecularWeight: 488.77019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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