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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-morpholinopropyl)thiourea Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NCCCN2CCOCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NCCCN2CCOCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H28N4O5S/c1-25-16-12-14(15(22(23)24)13-17(16)26-2)4-6-20-18(28)19-5-3-7-21-8-10-27-11-9-21/h12-13H,3-11H2,1-2H3,(H2,19,20,28)