1-tert-butyl-3-[2-(4-nitrophenyl)ethanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[2-(4-nitrophenyl)ethanoylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[2-(4-nitrophenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-13(2,3)14-12(21)16-15-11(18)8-9-4-6-10(7-5-9)17(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H2,14,16,21)