1-butyl-3-(2-methoxy-5-nitro-phenyl)thiourea

Systemtic Name: 1-butyl-3-(2-methoxy-5-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(2-methoxy-5-nitro-phenyl)thiourea CAS Name: 1-butyl-3-(2-methoxy-5-nitrophenyl)thiourea IUPAC Name: 1-butyl-3-(2-methoxy-5-nitrophenyl)thiourea Traditional Name: 1-butyl-3-(2-methoxy-5-nitro-phenyl)thiourea Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-3-4-7-13-12(19)14-10-8-9(15(16)17)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,19)