1-cyclopentyl-3-[[(2R)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea

Systemtic Name: 1-cyclopentyl-3-[[(2R)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea Openeye Name: 1-cyclopentyl-3-[[(2R)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea CAS Name: 1-cyclopentyl-3-[[(2R)-2-(3-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-cyclopentyl-3-[[(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanoyl]amino]thiourea Traditional Name: 1-cyclopentyl-3-[[(2R)-2-(3-methyl-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea Formula: C13H20N6O3S MolecularWeight: 340.4013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])C(C)C(=O)NNC(=S)NC2CCCC2

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])[C@H](C)C(=O)NNC(=S)NC2CCCC2

InChI

InChI=1S/C13H20N6O3S/c1-8-11(19(21)22)7-18(17-8)9(2)12(20)15-16-13(23)14-10-5-3-4-6-10/h7,9-10H,3-6H2,1-2H3,(H,15,20)(H2,14,16,23)/t9-/m1/s1