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

Systemtic Name: 3-iodanyl-4-methoxy-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[(4-phenylazophenyl)carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[(4-phenyldiazenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[(4-phenylazophenyl)thiocarbamoyl]benzamide Formula: C21H17IN4O2S MolecularWeight: 516.35475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)I

InChI

InChI=1S/C21H17IN4O2S/c1-28-19-12-7-14(13-18(19)22)20(27)24-21(29)23-15-8-10-17(11-9-15)26-25-16-5-3-2-4-6-16/h2-13H,1H3,(H2,23,24,27,29)