N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[3-chloro-4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C23H26ClFN4O2S MolecularWeight: 476.994543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C23H26ClFN4O2S/c1-15(2)13-21(30)29-11-9-28(10-12-29)20-8-7-16(14-18(20)24)26-23(32)27-22(31)17-5-3-4-6-19(17)25/h3-8,14-15H,9-13H2,1-2H3,(H2,26,27,31,32)