N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloranyl-4-methyl-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: 2-chloro-4-methyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2S/c1-3-4-21(29)28-13-11-27(12-14-28)18-8-6-17(7-9-18)25-23(31)26-22(30)19-10-5-16(2)15-20(19)24/h5-10,15H,3-4,11-14H2,1-2H3,(H2,25,26,30,31)