1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]thiourea

Systemtic Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]thiourea Openeye Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]thiourea CAS Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]thiourea IUPAC Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]thiourea Traditional Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]thiourea Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1)NC(=S)N(C)C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(COC1=C(C=C(C=C1)NC(=S)N(C)C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-13(14-7-5-4-6-8-14)12-24-17-10-9-15(11-16(17)21(22)23)19-18(25)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,25)