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

Systemtic Name: N-[[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-chloro-2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-chloro-2-(4-methylpiperazino)phenyl]thiocarbamoyl]-3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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