N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-furamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H20BrN3O3S/c20-16-10-9-15(26-16)17(24)22-19(27)21-14-8-4-3-7-13(14)18(25)23-11-5-1-2-6-12-23/h3-4,7-10H,1-2,5-6,11-12H2,(H2,21,22,24,27)