2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxamide Formula: C18H21N5O4S3 MolecularWeight: 467.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H21N5O4S3/c1-2-3-7-23-14-5-4-11(30(20,26)27)9-13(14)21-18(23)29-10-15(24)22-17-12(16(19)25)6-8-28-17/h4-6,8-9H,2-3,7,10H2,1H3,(H2,19,25)(H,22,24)(H2,20,26,27)