2-[[(4-butoxyphenyl)carbonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-butoxyphenyl)carbonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-butoxybenzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-butoxyphenyl)-oxomethyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-butoxybenzoyl)-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-butoxybenzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCC)CC2=NC(=CS2)C(=O)NCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCC)CC2=NC(=CS2)C(=O)NCCC

InChI

InChI=1S/C22H31N3O3S/c1-4-7-14-28-18-10-8-17(9-11-18)22(27)25(13-6-3)15-20-24-19(16-29-20)21(26)23-12-5-2/h8-11,16H,4-7,12-15H2,1-3H3,(H,23,26)