1-cyclohexyl-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea

Systemtic Name: 1-cyclohexyl-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-cyclohexyl-3-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-cyclohexyl-3-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]thiourea IUPAC Name: 1-cyclohexyl-3-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]thiourea Traditional Name: 1-cyclohexyl-3-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]thiourea Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)NC(=S)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H23N3O4S/c20-10-14(18-16(24)17-12-4-2-1-3-5-12)15(21)11-6-8-13(9-7-11)19(22)23/h6-9,12,14-15,20-21H,1-5,10H2,(H2,17,18,24)