N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H25IN2O3S MolecularWeight: 512.40427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)C)I)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)C)I)OC

InChI

InChI=1S/C21H25IN2O3S/c1-4-5-10-27-18-9-7-15(11-19(18)26-3)13-23-21(28)24-20(25)16-8-6-14(2)17(22)12-16/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,23,24,25,28)