1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(6-nitro-1,3-benzothiazol-2-yl)urea Formula: C16H8F6N4O3S MolecularWeight: 450.315139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H8F6N4O3S/c17-15(18,19)7-3-8(16(20,21)22)5-9(4-7)23-13(27)25-14-24-11-2-1-10(26(28)29)6-12(11)30-14/h1-6H,(H2,23,24,25,27)