1-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]-3-(4-sulfamoylphenyl)thiourea Formula: C16H17N5O6S2 MolecularWeight: 439.46608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O6S2/c1-10-8-12(4-7-14(10)21(23)24)27-9-15(22)19-20-16(28)18-11-2-5-13(6-3-11)29(17,25)26/h2-8H,9H2,1H3,(H,19,22)(H2,17,25,26)(H2,18,20,28)