N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C39H38N4O5S2 MolecularWeight: 706.87282

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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=C5)OCCOC6=CC=CC=C6

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=C5)OCCOC6=CC=CC=C6

InChI

InChI=1S/C39H38N4O5S2/c44-38(32-15-10-18-35(29-32)48-28-27-47-34-16-8-3-9-17-34)41-39(49)40-33-19-21-36(22-20-33)50(45,46)43-25-23-42(24-26-43)37(30-11-4-1-5-12-30)31-13-6-2-7-14-31/h1-22,29,37H,23-28H2,(H2,40,41,44,49)