2-[1-naphthalen-1-ylcarbonyl-3-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile

Systemtic Name: 2-[1-naphthalen-1-ylcarbonyl-3-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile Openeye Name: 2-[1-(naphthalene-1-carbonyl)-3-[2-[[3-(1-piperidylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile CAS Name: 2-[1-[1-naphthalenyl(oxo)methyl]-3-[2-[[3-(1-piperidinylmethyl)phenyl]methylthio]ethyl]-2-imidazolidinylidene]propanedinitrile IUPAC Name: 2-[1-(naphthalene-1-carbonyl)-3-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile Traditional Name: 2-[1-(1-naphthoyl)-3-[2-[[3-(piperidinomethyl)benzyl]thio]ethyl]imidazolidin-2-ylidene]malononitrile Formula: C32H33N5OS MolecularWeight: 535.70232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)CSCCN3CCN(C3=C(C#N)C#N)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)CSCCN3CCN(C3=C(C#N)C#N)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H33N5OS/c33-21-28(22-34)31-36(16-17-37(31)32(38)30-13-7-11-27-10-2-3-12-29(27)30)18-19-39-24-26-9-6-8-25(20-26)23-35-14-4-1-5-15-35/h2-3,6-13,20H,1,4-5,14-19,23-24H2