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

Systemtic Name: 3-iodanyl-4-methyl-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[(4-phenylazophenyl)carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[(4-phenyldiazenylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[(4-phenylazophenyl)thiocarbamoyl]benzamide Formula: C21H17IN4OS MolecularWeight: 500.35535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)I

InChI

InChI=1S/C21H17IN4OS/c1-14-7-8-15(13-19(14)22)20(27)24-21(28)23-16-9-11-18(12-10-16)26-25-17-5-3-2-4-6-17/h2-13H,1H3,(H2,23,24,27,28)