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

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

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

Isomeric SMILES

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

InChI

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