N-(2,4-dimethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2,4-dimethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(2,4-dimethylphenyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2,4-dimethylphenyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H26N4O3S2/c1-5-10-25-19-9-7-16(30(22,27)28)12-18(19)24-21(25)29-15(4)20(26)23-17-8-6-13(2)11-14(17)3/h6-9,11-12,15H,5,10H2,1-4H3,(H,23,26)(H2,22,27,28)