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

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N

InChI

InChI=1S/C21H21N3OS/c1-15-6-2-3-7-18(15)19(25)24-20(26)23-17-10-8-16(9-11-17)21(14-22)12-4-5-13-21/h2-3,6-11H,4-5,12-13H2,1H3,(H2,23,24,25,26)