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

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C16H12IN3O2S MolecularWeight: 437.25485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12IN3O2S/c1-22-14-6-5-11(8-13(14)17)15(21)20-16(23)19-12-4-2-3-10(7-12)9-18/h2-8H,1H3,(H2,19,20,21,23)