1-hexyl-3-(5-nitro-1,2-benzothiazol-3-yl)urea

Systemtic Name: 1-hexyl-3-(5-nitro-1,2-benzothiazol-3-yl)urea Openeye Name: 1-hexyl-3-(5-nitro-1,2-benzothiazol-3-yl)urea CAS Name: 1-hexyl-3-(5-nitro-1,2-benzothiazol-3-yl)urea IUPAC Name: 1-hexyl-3-(5-nitro-1,2-benzothiazol-3-yl)urea Traditional Name: 1-hexyl-3-(5-nitro-1,2-benzothiazol-3-yl)urea Formula: C14H18N4O3S MolecularWeight: 322.38272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=NSC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)NC1=NSC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c1-2-3-4-5-8-15-14(19)16-13-11-9-10(18(20)21)6-7-12(11)22-17-13/h6-7,9H,2-5,8H2,1H3,(H2,15,16,17,19)