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

Systemtic Name: 1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea Openeye Name: 1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea CAS Name: 1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea IUPAC Name: 1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NC2CCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NC2CCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H25N3O4S/c1-23-15-10-12(14(20(21)22)11-16(15)24-2)8-9-18-17(25)19-13-6-4-3-5-7-13/h10-11,13H,3-9H2,1-2H3,(H2,18,19,25)