1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H19N9O6S2 MolecularWeight: 521.53016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19N9O6S2/c1-11(26-10-14(27(29)30)16(24-26)33-2)15(28)22-23-18(34)21-12-4-6-13(7-5-12)35(31,32)25-17-19-8-3-9-20-17/h3-11H,1-2H3,(H,22,28)(H,19,20,25)(H2,21,23,34)