1-(2-ethyl-6-methyl-phenyl)-3-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-fluoro-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(4-fluoro-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(4-fluoro-3-nitro-benzoyl)amino]thiourea Formula: C17H17FN4O3S MolecularWeight: 376.405283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C17H17FN4O3S/c1-3-11-6-4-5-10(2)15(11)19-17(26)21-20-16(23)12-7-8-13(18)14(9-12)22(24)25/h4-9H,3H2,1-2H3,(H,20,23)(H2,19,21,26)