2-[[(3,5-dimethoxyphenyl)carbamoyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3,5-dimethoxyphenyl)carbamoyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3,5-dimethoxyphenyl)carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(3,5-dimethoxyanilino)-oxomethyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(3,5-dimethoxyphenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3,5-dimethoxyphenyl)carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C20H28N4O4S/c1-5-7-21-19(25)17-13-29-18(23-17)12-24(8-6-2)20(26)22-14-9-15(27-3)11-16(10-14)28-4/h9-11,13H,5-8,12H2,1-4H3,(H,21,25)(H,22,26)