1-[(2S)-2-ethylhexyl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-nitro-phenyl)thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-nitrophenyl)thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-nitrophenyl)thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-(2-hydroxy-5-nitro-phenyl)thiourea Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C15H23N3O3S/c1-3-5-6-11(4-2)10-16-15(22)17-13-9-12(18(20)21)7-8-14(13)19/h7-9,11,19H,3-6,10H2,1-2H3,(H2,16,17,22)/t11-/m0/s1