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

Systemtic Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C22H23N3OS MolecularWeight: 377.50252

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-15-5-6-17(13-16(15)2)20(26)25-21(27)24-19-9-7-18(8-10-19)22(14-23)11-3-4-12-22/h5-10,13H,3-4,11-12H2,1-2H3,(H2,24,25,26,27)