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

Systemtic Name: N-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3-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=C3)F)Cl

Isomeric SMILES

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

InChI

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