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

Systemtic Name: N-(4-dimethylaminophenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(4-dimethylaminophenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(4-dimethylaminophenyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propionamide Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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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=CC=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3S2/c1-5-12-26-19-11-10-17(31(22,28)29)13-18(19)24-21(26)30-14(2)20(27)23-15-6-8-16(9-7-15)25(3)4/h6-11,13-14H,5,12H2,1-4H3,(H,23,27)(H2,22,28,29)