[5-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(phenylsulfonyl)carbamate

Systemtic Name: [5-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(phenylsulfonyl)carbamate Openeye Name: [5-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(benzenesulfonyl)carbamate CAS Name: N-(benzenesulfonyl)carbamic acid [5-[[2-butyl-6-(carbamothioylamino)-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-2-phenylphenyl] N-(benzenesulfonyl)carbamate Traditional Name: N-besylcarbamic acid [5-[(2-butyl-6-thioureido-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] ester Formula: C32H31N5O4S2 MolecularWeight: 613.74964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C5=CC=CC=C5)C=C(C=C2)NC(=S)N

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C5=CC=CC=C5)C=C(C=C2)NC(=S)N

InChI

InChI=1S/C32H31N5O4S2/c1-2-3-14-30-35-27-18-16-24(34-31(33)42)20-28(27)37(30)21-22-15-17-26(23-10-6-4-7-11-23)29(19-22)41-32(38)36-43(39,40)25-12-8-5-9-13-25/h4-13,15-20H,2-3,14,21H2,1H3,(H,36,38)(H3,33,34,42)