1-(2-methylphenyl)-3-[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(o-tolyl)-3-[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(3,4,5-trimethoxy-2-nitrobenzoyl)amino]thiourea Traditional Name: 1-(o-tolyl)-3-[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]thiourea Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C18H20N4O6S/c1-10-7-5-6-8-12(10)19-18(29)21-20-17(23)11-9-13(26-2)15(27-3)16(28-4)14(11)22(24)25/h5-9H,1-4H3,(H,20,23)(H2,19,21,29)