1-ethyl-3-(7-methyl-6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-ethyl-3-(7-methyl-6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-ethyl-3-(7-methyl-6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-ethyl-3-(7-methyl-6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-ethyl-3-(7-methyl-6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-ethyl-3-(7-methyl-6-nitro-1,3-benzothiazol-2-yl)urea Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O3S/c1-3-12-10(16)14-11-13-7-4-5-8(15(17)18)6(2)9(7)19-11/h4-5H,3H2,1-2H3,(H2,12,13,14,16)