ethyl 2-[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[1-butyl-5-(butylsulfamoyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[1-butyl-5-(butylsulfamoyl)benzimidazol-2-yl]thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H36N4O5S3 MolecularWeight: 628.82564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC)CCCC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OCC)CCCC

InChI

InChI=1S/C30H36N4O5S3/c1-4-7-16-31-42(37,38)22-14-15-25-24(18-22)32-30(34(25)17-8-5-2)41-20-26(35)33-28-27(29(36)39-6-3)23(19-40-28)21-12-10-9-11-13-21/h9-15,18-19,31H,4-8,16-17,20H2,1-3H3,(H,33,35)