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

Systemtic Name: 1-[2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanoylamino]-3-methyl-thiourea Openeye Name: 1-[[2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetyl]amino]-3-methyl-thiourea CAS Name: 1-[[2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]-1-oxoethyl]amino]-3-methylthiourea IUPAC Name: 1-[[2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetyl]amino]-3-methylthiourea Traditional Name: 1-[[2-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetyl]amino]-3-methyl-thiourea Formula: C16H19N7O6S2 MolecularWeight: 469.49536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)NNC(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)NNC(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O6S2/c1-9-18-14(23(27)28)15(31-8-13(24)19-20-16(30)17-2)21(9)7-10-4-5-12(29-3)11(6-10)22(25)26/h4-6H,7-8H2,1-3H3,(H,19,24)(H2,17,20,30)