1-butyl-3-(4-ethoxy-2-nitro-phenyl)thiourea

Systemtic Name: 1-butyl-3-(4-ethoxy-2-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(4-ethoxy-2-nitro-phenyl)thiourea CAS Name: 1-butyl-3-(4-ethoxy-2-nitrophenyl)thiourea IUPAC Name: 1-butyl-3-(4-ethoxy-2-nitrophenyl)thiourea Traditional Name: 1-butyl-3-(4-ethoxy-2-nitro-phenyl)thiourea Formula: C13H19N3O3S MolecularWeight: 297.37326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C=C(C=C1)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NC1=C(C=C(C=C1)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3S/c1-3-5-8-14-13(20)15-11-7-6-10(19-4-2)9-12(11)16(17)18/h6-7,9H,3-5,8H2,1-2H3,(H2,14,15,20)