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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)C

InChI

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