N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]coumarilamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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