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

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H26N4O2S/c1-3-17-8-10-18(11-9-17)21(28)24-22(29)23-19-6-4-5-7-20(19)26-14-12-25(13-15-26)16(2)27/h4-11H,3,12-15H2,1-2H3,(H2,23,24,28,29)