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

Systemtic Name: 4-chloranyl-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-chloro-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-chlorobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-chlorobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-4-chloro-benzamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-14(26)24-10-12-25(13-11-24)18-8-6-17(7-9-18)22-20(28)23-19(27)15-2-4-16(21)5-3-15/h2-9H,10-13H2,1H3,(H2,22,23,27,28)