1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-oxidanylbutyl)thiourea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-oxidanylbutyl)thiourea Openeye Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea CAS Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(4-hydroxybutyl)-3-(6-nitro-1,3-benzothiazol-2-yl)thiourea Formula: C12H14N4O3S2 MolecularWeight: 326.39456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=S)NCCCCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=S)NCCCCO

InChI

InChI=1S/C12H14N4O3S2/c17-6-2-1-5-13-11(20)15-12-14-9-4-3-8(16(18)19)7-10(9)21-12/h3-4,7,17H,1-2,5-6H2,(H2,13,14,15,20)