1-tert-butyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-tert-butyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-tert-butyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-tert-butyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-tert-butyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-tert-butyl-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O3S/c1-12(2,3)15-10(17)14-11-13-8-5-4-7(16(18)19)6-9(8)20-11/h4-6H,1-3H3,(H2,13,14,15,17)