1-(2,6-diethylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-(2-nitro-5-propylsulfanylphenyl)thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=C(C=CC=C2CC)CC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=C(C=CC=C2CC)CC

InChI

InChI=1S/C20H25N3O2S2/c1-4-12-27-16-10-11-18(23(24)25)17(13-16)21-20(26)22-19-14(5-2)8-7-9-15(19)6-3/h7-11,13H,4-6,12H2,1-3H3,(H2,21,22,26)