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

Systemtic Name: N-butyl-2-[[butyl-(4-methylphenyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl(p-tolylsulfonyl)amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-(4-methylphenyl)sulfonylamino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-(4-methylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl(tosyl)amino]methyl]thiazole-4-carboxamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S2/c1-4-6-12-21-20(24)18-15-27-19(22-18)14-23(13-7-5-2)28(25,26)17-10-8-16(3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)