N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]coumarilamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H20ClN3O2S/c22-15-8-6-9-16(19(15)25-11-4-1-5-12-25)23-21(28)24-20(26)18-13-14-7-2-3-10-17(14)27-18/h2-3,6-10,13H,1,4-5,11-12H2,(H2,23,24,26,28)