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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]coumarilamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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