3-bromanyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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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)C3(CCCC3)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-27-18-9-4-14(12-17(18)22)19(26)25-20(28)24-16-7-5-15(6-8-16)21(13-23)10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H2,24,25,26,28)