1-methyl-3-[2-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanylethanoylamino]thiourea

Systemtic Name: 1-methyl-3-[2-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanylethanoylamino]thiourea Openeye Name: 1-methyl-3-[[2-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanylacetyl]amino]thiourea CAS Name: 1-methyl-3-[[2-[[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]-4-imidazolyl]thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-methyl-3-[[2-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazol-4-yl]sulfanylacetyl]amino]thiourea Traditional Name: 1-[[2-[[3-(4-amoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetyl]amino]-3-methyl-thiourea Formula: C20H27N7O6S2 MolecularWeight: 525.60168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(=O)NNC(=S)NC)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(=O)NNC(=S)NC)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O6S2/c1-4-5-6-9-33-16-8-7-14(10-15(16)26(29)30)11-25-13(2)22-18(27(31)32)19(25)35-12-17(28)23-24-20(34)21-3/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,23,28)(H2,21,24,34)