N-[1-(3,4-dipropoxyphenyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(methylthio)nicotinamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=C(N=CC=C2)SC)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=C(N=CC=C2)SC)OCCC

InChI

InChI=1S/C21H28N2O3S/c1-5-12-25-18-10-9-16(14-19(18)26-13-6-2)15(3)23-20(24)17-8-7-11-22-21(17)27-4/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,23,24)