3-[2-[4-(butylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-4-fluoranyl-N-methyl-1H-indole-7-carboxamide

Systemtic Name: 3-[2-[4-(butylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]-4-fluoranyl-N-methyl-1H-indole-7-carboxamide Openeye Name: 3-[2-[4-(butylcarbamothioyl)piperazin-1-yl]-2-oxo-acetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide CAS Name: 3-[2-[4-[butylamino(sulfanylidene)methyl]-1-piperazinyl]-1,2-dioxoethyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide IUPAC Name: 3-[2-[4-(butylcarbamothioyl)piperazin-1-yl]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide Traditional Name: 3-[2-[4-(butylthiocarbamoyl)piperazino]-2-keto-acetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide Formula: C21H26FN5O3S MolecularWeight: 447.526243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C(=O)NC

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C(=O)NC

InChI

InChI=1S/C21H26FN5O3S/c1-3-4-7-24-21(31)27-10-8-26(9-11-27)20(30)18(28)14-12-25-17-13(19(29)23-2)5-6-15(22)16(14)17/h5-6,12,25H,3-4,7-11H2,1-2H3,(H,23,29)(H,24,31)