[2-[[2-butyl-5-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-5-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-5-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-5-(carbamothioylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-5-(carbamothioylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(2-butyl-5-thioureido-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=CC(=C2)NC(=S)N

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=CC(=C2)NC(=S)N

InChI

InChI=1S/C26H26N4O3S/c1-2-3-12-23-29-21-15-19(28-25(27)34)13-14-22(21)30(23)16-18-10-7-11-20(24(18)33-26(31)32)17-8-5-4-6-9-17/h4-11,13-15H,2-3,12,16H2,1H3,(H,31,32)(H3,27,28,34)