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

Systemtic Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[1-[2-(1-azepanyl)ethyl]-3-indolyl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-2-(methylthio)nicotinamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCC2=CN(C3=CC=CC=C32)CCN4CCCCCC4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCC2=CN(C3=CC=CC=C32)CCN4CCCCCC4

InChI

InChI=1S/C25H32N4OS/c1-31-25-22(10-8-13-27-25)24(30)26-14-12-20-19-29(23-11-5-4-9-21(20)23)18-17-28-15-6-2-3-7-16-28/h4-5,8-11,13,19H,2-3,6-7,12,14-18H2,1H3,(H,26,30)