(3E)-1-ethyl-3-[5-nitro-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,3-thiazol-2-ylidene]urea

Systemtic Name: (3E)-1-ethyl-3-[5-nitro-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,3-thiazol-2-ylidene]urea Openeye Name: (3E)-1-ethyl-3-[5-nitro-3-[2-oxo-2-(1-piperidyl)ethyl]thiazol-2-ylidene]urea CAS Name: (3E)-1-ethyl-3-[5-nitro-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-thiazolylidene]urea IUPAC Name: (3E)-1-ethyl-3-[5-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-ylidene]urea Traditional Name: (3E)-1-ethyl-3-[3-(2-keto-2-piperidino-ethyl)-5-nitro-4-thiazolin-2-ylidene]urea Formula: C13H19N5O4S MolecularWeight: 341.38606

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N=C1N(C=C(S1)[N+](=O)[O-])CC(=O)N2CCCCC2

Isomeric SMILES

CCNC(=O)/N=C/1\N(C=C(S1)[N+](=O)[O-])CC(=O)N2CCCCC2

InChI

InChI=1S/C13H19N5O4S/c1-2-14-12(20)15-13-17(9-11(23-13)18(21)22)8-10(19)16-6-4-3-5-7-16/h9H,2-8H2,1H3,(H,14,20)/b15-13+