N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C31H29FN4O3S2 MolecularWeight: 588.715363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=S)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C31H29FN4O3S2/c32-28-14-8-7-13-27(28)30(37)34-31(40)33-25-15-17-26(18-16-25)41(38,39)36-21-19-35(20-22-36)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2,(H2,33,34,37,40)