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

Systemtic Name: 2-butoxy-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-butoxy-benzamide CAS Name: 2-butoxy-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-butoxybenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-butoxy-benzamide Formula: C35H38N4O4S2 MolecularWeight: 642.83062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H38N4O4S2/c1-2-3-26-43-32-17-11-10-16-31(32)34(40)37-35(44)36-29-18-20-30(21-19-29)45(41,42)39-24-22-38(23-25-39)33(27-12-6-4-7-13-27)28-14-8-5-9-15-28/h4-21,33H,2-3,22-26H2,1H3,(H2,36,37,40,44)