(Z)-3-methylsulfanyl-1-nitro-5-[3-(piperidin-1-ylmethyl)phenoxy]pent-1-en-2-amine

Systemtic Name: (Z)-3-methylsulfanyl-1-nitro-5-[3-(piperidin-1-ylmethyl)phenoxy]pent-1-en-2-amine Openeye Name: (Z)-3-methylsulfanyl-1-nitro-5-[3-(1-piperidylmethyl)phenoxy]pent-1-en-2-amine CAS Name: (Z)-3-(methylthio)-1-nitro-5-[3-(1-piperidinylmethyl)phenoxy]-1-penten-2-amine IUPAC Name: (Z)-3-methylsulfanyl-1-nitro-5-[3-(piperidin-1-ylmethyl)phenoxy]pent-1-en-2-amine Traditional Name: [(Z)-1-[1-(methylthio)-3-[3-(piperidinomethyl)phenoxy]propyl]-2-nitro-vinyl]amine Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CCOC1=CC=CC(=C1)CN2CCCCC2)C(=C[N+](=O)[O-])N

Isomeric SMILES

CSC(CCOC1=CC=CC(=C1)CN2CCCCC2)/C(=C/[N+](=O)[O-])/N

InChI

InChI=1S/C18H27N3O3S/c1-25-18(17(19)14-21(22)23)8-11-24-16-7-5-6-15(12-16)13-20-9-3-2-4-10-20/h5-7,12,14,18H,2-4,8-11,13,19H2,1H3/b17-14-