5-(4-bromophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[3-(valerylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrN3O3S/c1-2-3-7-21(28)25-17-5-4-6-18(14-17)26-23(31)27-22(29)20-13-12-19(30-20)15-8-10-16(24)11-9-15/h4-6,8-14H,2-3,7H2,1H3,(H,25,28)(H2,26,27,29,31)