2-[[(4-acetamidophenyl)sulfonyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-acetamidophenyl)sulfonyl-butyl-amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-acetamidophenyl)sulfonyl-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: 2-[[(4-acetamidophenyl)sulfonyl-butylamino]methyl]-N-butyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-acetamidophenyl)sulfonyl-butylamino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-acetamidophenyl)sulfonyl-butyl-amino]methyl]-N-butyl-thiazole-4-carboxamide Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H30N4O4S2/c1-4-6-12-22-21(27)19-15-30-20(24-19)14-25(13-7-5-2)31(28,29)18-10-8-17(9-11-18)23-16(3)26/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,27)(H,23,26)