1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(3-methoxy-4-nitropyrazol-1-yl)propanoyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoyl]amino]thiourea Formula: C15H16N6O6S MolecularWeight: 408.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)OCO2)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NC1=CC2=C(C=C1)OCO2)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O6S/c1-8(20-6-10(21(23)24)14(19-20)25-2)13(22)17-18-15(28)16-9-3-4-11-12(5-9)27-7-26-11/h3-6,8H,7H2,1-2H3,(H,17,22)(H2,16,18,28)/t8-/m1/s1