N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

InChI

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