5-(4-bromophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-furamide Formula: C22H17BrN4O3S2 MolecularWeight: 529.42938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN4O3S2/c1-2-19(28)26-22-25-15-8-7-14(11-18(15)32-22)24-21(31)27-20(29)17-10-9-16(30-17)12-3-5-13(23)6-4-12/h3-11H,2H2,1H3,(H,25,26,28)(H2,24,27,29,31)