N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethylanilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(2,5-dimethylphenyl)-[[2-(hydroxymethyl)phenyl]methyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(2,5-dimethylphenyl)-(2-methylolbenzyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C25H25IN2O2S MolecularWeight: 544.44767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2CO)C(=S)NC(=O)C3=CC(=C(C=C3)C)I

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC2=CC=CC=C2CO)C(=S)NC(=O)C3=CC(=C(C=C3)C)I

InChI

InChI=1S/C25H25IN2O2S/c1-16-8-9-18(3)23(12-16)28(14-20-6-4-5-7-21(20)15-29)25(31)27-24(30)19-11-10-17(2)22(26)13-19/h4-13,29H,14-15H2,1-3H3,(H,27,30,31)