2-(2-nitro-1-phenyl-ethyl)-1-piperidin-1-yl-pent-4-ene-1-thione

Systemtic Name: 2-(2-nitro-1-phenyl-ethyl)-1-piperidin-1-yl-pent-4-ene-1-thione Openeye Name: 2-(2-nitro-1-phenyl-ethyl)-1-(1-piperidyl)pent-4-ene-1-thione CAS Name: 2-(2-nitro-1-phenylethyl)-1-(1-piperidinyl)-4-pentene-1-thione IUPAC Name: 2-(2-nitro-1-phenylethyl)-1-piperidin-1-ylpent-4-ene-1-thione Traditional Name: 2-(2-nitro-1-phenyl-ethyl)-1-piperidino-pent-4-ene-1-thione Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=S)N2CCCCC2

Isomeric SMILES

C=CCC(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=S)N2CCCCC2

InChI

InChI=1S/C18H24N2O2S/c1-2-9-16(18(23)19-12-7-4-8-13-19)17(14-20(21)22)15-10-5-3-6-11-15/h2-3,5-6,10-11,16-17H,1,4,7-9,12-14H2