3-bromanyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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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)CC#N)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O2S/c1-23-15-7-4-12(10-14(15)18)16(22)21-17(24)20-13-5-2-11(3-6-13)8-9-19/h2-7,10H,8H2,1H3,(H2,20,21,22,24)