1-tert-butyl-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=S)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=S)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3S/c1-8-7-9(5-6-10(8)17(19)20)11(18)15-16-12(21)14-13(2,3)4/h5-7H,1-4H3,(H,15,18)(H2,14,16,21)