2,5-bis(chloranyl)-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]benzamide Formula: C20H17Cl2N3OS MolecularWeight: 418.33948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3OS/c21-14-5-8-17(22)16(11-14)18(26)25-19(27)24-15-6-3-13(4-7-15)20(12-23)9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H2,24,25,26,27)