N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[4-hydroxybutyl(p-phenetyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H25IN2O3S MolecularWeight: 512.40427

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

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