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

Systemtic Name: 3-chloranyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3(CCCC3)C#N)Cl

InChI

InChI=1S/C21H20ClN3OS/c1-14-4-5-15(12-18(14)22)19(26)25-20(27)24-17-8-6-16(7-9-17)21(13-23)10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H2,24,25,26,27)