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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H28N4O2S/c1-3-6-21(28)27-15-13-26(14-16-27)19-11-9-18(10-12-19)24-23(30)25-22(29)20-8-5-4-7-17(20)2/h4-5,7-12H,3,6,13-16H2,1-2H3,(H2,24,25,29,30)