N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-2,4-dimethylanilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C21H25IN2O3S MolecularWeight: 512.40427

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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)C

Isomeric SMILES

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

InChI

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