N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

InChI

InChI=1S/C22H23N3O2S/c1-2-27-19-11-5-16(6-12-19)20(26)25-21(28)24-18-9-7-17(8-10-18)22(15-23)13-3-4-14-22/h5-12H,2-4,13-14H2,1H3,(H2,24,25,26,28)