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

Systemtic Name: 3-iodanyl-N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H23IN2O3S MolecularWeight: 498.37769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC(=CC=C2)OC)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC(=CC=C2)OC)I

InChI

InChI=1S/C20H23IN2O3S/c1-14-8-9-15(12-18(14)21)19(25)22-20(27)23(10-3-4-11-24)16-6-5-7-17(13-16)26-2/h5-9,12-13,24H,3-4,10-11H2,1-2H3,(H,22,25,27)