[4-(11-butylsulfanylundecylamino)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-(11-butylsulfanylundecylamino)phenyl]-piperidin-1-yl-methanone Openeye Name: [4-(11-butylsulfanylundecylamino)phenyl]-(1-piperidyl)methanone CAS Name: [4-[11-(butylthio)undecylamino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(11-butylsulfanylundecylamino)phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[11-(butylthio)undecylamino]phenyl]-piperidino-methanone Formula: C27H46N2OS MolecularWeight: 446.73194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)N2CCCCC2

Isomeric SMILES

CCCCSCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)N2CCCCC2

InChI

InChI=1S/C27H46N2OS/c1-2-3-23-31-24-15-10-8-6-4-5-7-9-12-20-28-26-18-16-25(17-19-26)27(30)29-21-13-11-14-22-29/h16-19,28H,2-15,20-24H2,1H3