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

Systemtic Name: N-butyl-2-[[butyl(2-phenylsulfanylethanoyl)amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-(2-phenylsulfanylacetyl)amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-(2-phenylsulfanylacetyl)amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[2-(phenylthio)acetyl]amino]methyl]thiazole-4-carboxamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C21H29N3O2S2/c1-3-5-12-22-21(26)18-15-28-19(23-18)14-24(13-6-4-2)20(25)16-27-17-10-8-7-9-11-17/h7-11,15H,3-6,12-14,16H2,1-2H3,(H,22,26)