3-iodanyl-4-methoxy-N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide Openeye Name: N-[4-hydroxybutyl(p-tolyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-4-methylanilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[4-hydroxybutyl-(4-methylphenyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[4-hydroxybutyl(p-tolyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C20H23IN2O3S MolecularWeight: 498.37769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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