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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]coumarilamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18ClN3O2S/c21-14-7-5-8-15(18(14)24-10-3-4-11-24)22-20(27)23-19(25)17-12-13-6-1-2-9-16(13)26-17/h1-2,5-9,12H,3-4,10-11H2,(H2,22,23,25,27)