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

Systemtic Name: 5-bromanyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2S/c1-14-11-16(23)12-18(19(14)28-2)20(27)26-21(29)25-17-7-5-15(6-8-17)22(13-24)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,25,26,27,29)