N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C

InChI

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