N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(methylthio)nicotinamide Formula: C19H25N3OS2 MolecularWeight: 375.5513

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C19H25N3OS2/c1-24-19-16(7-6-9-20-19)18(23)21-13-17(15-8-12-25-14-15)22-10-4-2-3-5-11-22/h6-9,12,14,17H,2-5,10-11,13H2,1H3,(H,21,23)