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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-chloro-4-(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=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F)Cl

Isomeric SMILES

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

InChI

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