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

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C17H16IN3O2S MolecularWeight: 453.29731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O2S/c1-10-6-7-12(8-15(10)18)16(23)21-17(24)20-14-5-3-4-13(9-14)19-11(2)22/h3-9H,1-2H3,(H,19,22)(H2,20,21,23,24)