1-cyclohexyl-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-cyclohexyl-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-cyclohexyl-3-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-cyclohexyl-3-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]thiourea Formula: C14H22N6O4S MolecularWeight: 370.42728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1CCCCC1)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=S)NC1CCCCC1)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H22N6O4S/c1-9(19-8-11(20(22)23)13(18-19)24-2)12(21)16-17-14(25)15-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,21)(H2,15,17,25)