2-[methylsulfanyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]methylidene]propanedinitrile

Systemtic Name: 2-[methylsulfanyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]methylidene]propanedinitrile Openeye Name: 2-[methylsulfanyl-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]methylene]propanedinitrile CAS Name: 2-[(methylthio)-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]methylidene]propanedinitrile IUPAC Name: 2-[methylsulfanyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]methylidene]propanedinitrile Traditional Name: 2-[(methylthio)-[3-[3-(piperidinomethyl)phenoxy]propylamino]methylene]malononitrile Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C#N)NCCCOC1=CC=CC(=C1)CN2CCCCC2

Isomeric SMILES

CSC(=C(C#N)C#N)NCCCOC1=CC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C20H26N4OS/c1-26-20(18(14-21)15-22)23-9-6-12-25-19-8-5-7-17(13-19)16-24-10-3-2-4-11-24/h5,7-8,13,23H,2-4,6,9-12,16H2,1H3