1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[3-(methylthio)propyl]thiourea Formula: C15H23N3O4S2 MolecularWeight: 373.49082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NCCCSC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NCCCSC)[N+](=O)[O-])OC

InChI

InChI=1S/C15H23N3O4S2/c1-21-13-9-11(12(18(19)20)10-14(13)22-2)5-7-17-15(23)16-6-4-8-24-3/h9-10H,4-8H2,1-3H3,(H2,16,17,23)