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

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-4-13-7-5-6-11(2)16(13)19-18(26)21-20-17(23)14-8-9-15(22(24)25)12(3)10-14/h5-10H,4H2,1-3H3,(H,20,23)(H2,19,21,26)