N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-furan-2-carboxamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromofuran-2-carboxamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-5-bromo-2-furamide Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4S2/c19-16-10-9-15(26-16)17(23)21-18(27)20-13-5-7-14(8-6-13)28(24,25)22-11-3-1-2-4-12-22/h5-10H,1-4,11-12H2,(H2,20,21,23,27)