1-(4-bromanyl-2-chloranyl-phenyl)-3-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[[2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiourea Formula: C17H16BrClN4O4S MolecularWeight: 487.75534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NNC(=S)NC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)NNC(=S)NC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrClN4O4S/c1-9-3-6-15(14(7-9)23(25)26)27-10(2)16(24)21-22-17(28)20-13-5-4-11(18)8-12(13)19/h3-8,10H,1-2H3,(H,21,24)(H2,20,22,28)