2-(1-azanyl-3-methylsulfanyl-propyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-[(3,4,5-trimethoxyphenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-(3,4,5-trimethoxybenzyl)thiazole-4-carboxamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CSC(=N2)C(CCSC)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CSC(=N2)C(CCSC)N

InChI

InChI=1S/C18H25N3O4S2/c1-23-14-7-11(8-15(24-2)16(14)25-3)9-20-17(22)13-10-27-18(21-13)12(19)5-6-26-4/h7-8,10,12H,5-6,9,19H2,1-4H3,(H,20,22)