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

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C23H20ClFN4O2S2 MolecularWeight: 503.011903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H20ClFN4O2S2/c24-18-14-17(26-23(32)27-21(30)15-3-5-16(25)6-4-15)7-8-19(18)28-9-11-29(12-10-28)22(31)20-2-1-13-33-20/h1-8,13-14H,9-12H2,(H2,26,27,30,32)