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

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-(2-methoxy-5-nitro-phenyl)thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-(2-methoxy-5-nitro-phenyl)thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-(2-methoxy-5-nitrophenyl)thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-(2-methoxy-5-nitrophenyl)thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-(2-methoxy-5-nitro-phenyl)thiourea Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-4-6-7-12(5-2)11-17-16(23)18-14-10-13(19(20)21)8-9-15(14)22-3/h8-10,12H,4-7,11H2,1-3H3,(H2,17,18,23)/t12-/m0/s1