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

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-[(2,4-dimethoxyphenyl)methyl]thiazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-(2,4-dimethoxybenzyl)thiazole-4-carboxamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)C2=CSC(=N2)C(CCSC)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C2=CSC(=N2)C(CCSC)N)OC

InChI

InChI=1S/C17H23N3O3S2/c1-22-12-5-4-11(15(8-12)23-2)9-19-16(21)14-10-25-17(20-14)13(18)6-7-24-3/h4-5,8,10,13H,6-7,9,18H2,1-3H3,(H,19,21)