5-(4-bromophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C26H27BrN4O3S MolecularWeight: 555.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H27BrN4O3S/c1-17(2)25(33)31-15-13-30(14-16-31)21-6-4-3-5-20(21)28-26(35)29-24(32)23-12-11-22(34-23)18-7-9-19(27)10-8-18/h3-12,17H,13-16H2,1-2H3,(H2,28,29,32,35)