N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-furamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H21N3O3S/c23-17(16-10-7-13-25-16)21-19(26)20-15-9-4-3-8-14(15)18(24)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,20,21,23,26)