2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[(4-tert-butylphenyl)sulfonyl-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-tert-butylphenyl)sulfonyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-tert-butylphenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H31N3O3S2/c1-6-12-22-20(25)18-15-28-19(23-18)14-24(13-7-2)29(26,27)17-10-8-16(9-11-17)21(3,4)5/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,25)