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

Systemtic Name: N-butyl-2-[[butyl-(phenylmethyl)sulfonyl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[benzylsulfonyl(butyl)amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-(phenylmethyl)sulfonylamino]methyl]-4-thiazolecarboxamide IUPAC Name: 2-[[benzylsulfonyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[benzylsulfonyl(butyl)amino]methyl]-N-butyl-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)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O3S2/c1-3-5-12-21-20(24)18-15-27-19(22-18)14-23(13-6-4-2)28(25,26)16-17-10-8-7-9-11-17/h7-11,15H,3-6,12-14,16H2,1-2H3,(H,21,24)