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

Systemtic Name: 3-bromanyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)Br

InChI

InChI=1S/C18H16BrN3O2S/c1-2-24-16-8-5-13(11-15(16)19)17(23)22-18(25)21-14-6-3-12(4-7-14)9-10-20/h3-8,11H,2,9H2,1H3,(H2,21,22,23,25)