5-bromanyl-N-[(2-cyanophenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-cyanophenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(2-cyanophenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[(2-cyanoanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(2-cyanophenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(2-cyanophenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C16H12BrN3O2S/c1-22-14-7-6-11(17)8-12(14)15(21)20-16(23)19-13-5-3-2-4-10(13)9-18/h2-8H,1H3,(H2,19,20,21,23)