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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(2-nitro-5-propylsulfanylphenyl)thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H21N3O2S2/c1-4-7-25-15-5-6-17(21(22)23)16(11-15)20-18(24)19-14-9-12(2)8-13(3)10-14/h5-6,8-11H,4,7H2,1-3H3,(H2,19,20,24)