4-tert-butyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C35H38N4O3S2 MolecularWeight: 626.83122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=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/C35H38N4O3S2/c1-35(2,3)29-16-14-28(15-17-29)33(40)37-34(43)36-30-18-20-31(21-19-30)44(41,42)39-24-22-38(23-25-39)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-21,32H,22-25H2,1-3H3,(H2,36,37,40,43)