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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-4-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=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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