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

Systemtic Name: [5-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate Openeye Name: [5-[[2-butyl-6-(carbamothioylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate CAS Name: N-methylsulfonylcarbamic 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-methylsulfonylcarbamate Traditional Name: N-mesylcarbamic acid [5-[(2-butyl-6-thioureido-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] ester Formula: C27H29N5O4S2 MolecularWeight: 551.68026

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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)C)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)C)C=C(C=C2)NC(=S)N

InChI

InChI=1S/C27H29N5O4S2/c1-3-4-10-25-30-22-14-12-20(29-26(28)37)16-23(22)32(25)17-18-11-13-21(19-8-6-5-7-9-19)24(15-18)36-27(33)31-38(2,34)35/h5-9,11-16H,3-4,10,17H2,1-2H3,(H,31,33)(H3,28,29,37)