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

Systemtic Name: N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-chloro-4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C25H23Cl2FN4OS MolecularWeight: 517.445723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C25H23Cl2FN4OS/c26-21-4-2-1-3-18(21)16-31-11-13-32(14-12-31)23-10-9-20(15-22(23)27)29-25(34)30-24(33)17-5-7-19(28)8-6-17/h1-10,15H,11-14,16H2,(H2,29,30,33,34)