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

Systemtic Name: 1-tert-butyl-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiourea Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3S2/c1-13(2,3)14-12(21)16-15-11(18)8-22-10-6-4-9(5-7-10)17(19)20/h4-7H,8H2,1-3H3,(H,15,18)(H2,14,16,21)