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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C20H21ClFN3OS MolecularWeight: 405.916643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)F)Cl

InChI

InChI=1S/C20H21ClFN3OS/c1-13-7-9-25(10-8-13)18-6-5-16(12-17(18)21)23-20(27)24-19(26)14-3-2-4-15(22)11-14/h2-6,11-13H,7-10H2,1H3,(H2,23,24,26,27)