1-(2-methoxy-4-nitro-phenyl)-3-pentan-2-yl-thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-pentan-2-yl-thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylbutyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-pentan-2-ylthiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-pentan-2-ylthiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(1-methylbutyl)thiourea Formula: C13H19N3O3S MolecularWeight: 297.37326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCC(C)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

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