N-methoxy-N-[[4-[1-(2-methylsulfanylpyridin-4-yl)ethoxy]phenyl]carbamoyl]butan-1-amine oxide

Systemtic Name: N-methoxy-N-[[4-[1-(2-methylsulfanylpyridin-4-yl)ethoxy]phenyl]carbamoyl]butan-1-amine oxide Openeye Name: N-methoxy-N-[[4-[1-(2-methylsulfanyl-4-pyridyl)ethoxy]phenyl]carbamoyl]butan-1-amine oxide CAS Name: N-methoxy-N-[[4-[1-[2-(methylthio)-4-pyridinyl]ethoxy]anilino]-oxomethyl]-1-butanamine oxide IUPAC Name: N-methoxy-N-[[4-[1-(2-methylsulfanylpyridin-4-yl)ethoxy]phenyl]carbamoyl]butan-1-amine oxide Traditional Name: N-methoxy-N-[[4-[1-[2-(methylthio)-4-pyridyl]ethoxy]phenyl]carbamoyl]butan-1-amine oxide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C(=O)NC1=CC=C(C=C1)OC(C)C2=CC(=NC=C2)SC)([O-])OC

Isomeric SMILES

CCCC[N+](C(=O)NC1=CC=C(C=C1)OC(C)C2=CC(=NC=C2)SC)([O-])OC

InChI

InChI=1S/C20H27N3O4S/c1-5-6-13-23(25,26-3)20(24)22-17-7-9-18(10-8-17)27-15(2)16-11-12-21-19(14-16)28-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,24)