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

Systemtic Name: N-[(4-cyanophenyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(4-cyanophenyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[(4-cyanoanilino)-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[(4-cyanophenyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(4-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=C(C=C2)C#N)I

Isomeric SMILES

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

InChI

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