2-ethyl-N-(3-methylsulfanylpropylsulfonyl)-3-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide

Systemtic Name: 2-ethyl-N-(3-methylsulfanylpropylsulfonyl)-3-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide Openeye Name: 2-ethyl-N-(3-methylsulfanylpropylsulfonyl)-3-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide CAS Name: 2-ethyl-N-[3-(methylthio)propylsulfonyl]-3-[(4-phenylphenyl)methyl]-5-benzimidazolecarboxamide IUPAC Name: 2-ethyl-N-(3-methylsulfanylpropylsulfonyl)-3-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide Traditional Name: 2-ethyl-N-[3-(methylthio)propylsulfonyl]-3-(4-phenylbenzyl)benzimidazole-5-carboxamide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4)C=C(C=C2)C(=O)NS(=O)(=O)CCCSC

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4)C=C(C=C2)C(=O)NS(=O)(=O)CCCSC

InChI

InChI=1S/C27H29N3O3S2/c1-3-26-28-24-15-14-23(27(31)29-35(32,33)17-7-16-34-2)18-25(24)30(26)19-20-10-12-22(13-11-20)21-8-5-4-6-9-21/h4-6,8-15,18H,3,7,16-17,19H2,1-2H3,(H,29,31)