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

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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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(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O2S/c1-14(26)24-9-11-25(12-10-24)18-7-5-17(6-8-18)22-20(28)23-19(27)15-3-2-4-16(21)13-15/h2-8,13H,9-12H2,1H3,(H2,22,23,27,28)