N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O2S/c25-20(19-13-16-5-1-2-6-18(16)26-19)23-21(27)22-17-9-7-15(8-10-17)14-24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12,14H2,(H2,22,23,25,27)