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

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C19H20ClFN4OS MolecularWeight: 406.904703

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20ClFN4OS/c1-24-9-11-25(12-10-24)17-15(20)3-2-4-16(17)22-19(27)23-18(26)13-5-7-14(21)8-6-13/h2-8H,9-12H2,1H3,(H2,22,23,26,27)