N-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C20H20ClFN4O2S MolecularWeight: 434.914803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C20H20ClFN4O2S/c1-13(27)25-8-10-26(11-9-25)18-7-6-14(12-16(18)21)23-20(29)24-19(28)15-4-2-3-5-17(15)22/h2-7,12H,8-11H2,1H3,(H2,23,24,28,29)