N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-27-18-10-5-15(13-19(18)28-2)20(26)25-21(29)24-17-8-6-16(7-9-17)22(14-23)11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H2,24,25,26,29)