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

Systemtic Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-17(2)16-21(28)27-14-12-26(13-15-27)20-10-8-19(9-11-20)24-23(30)25-22(29)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H2,24,25,29,30)