1-(2-ethyl-6-methyl-phenyl)-3-[(2-methoxy-5-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(2-methoxy-5-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(2-methoxy-5-nitrobenzoyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-4-12-7-5-6-11(2)16(12)19-18(27)21-20-17(23)14-10-13(22(24)25)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H,20,23)(H2,19,21,27)