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1-[(2S)-2-ethylhexyl]-3-[(3-nitrophenyl)amino]thiourea

1-[(2S)-2-ethylhexyl]-3-[(3-nitrophenyl)amino]thiourea

Systemtic Name:1-[(2S)-2-ethylhexyl]-3-[(3-nitrophenyl)amino]thiourea
Openeye Name:1-[(2S)-2-ethylhexyl]-3-(3-nitroanilino)thiourea
CAS Name:1-[(2S)-2-ethylhexyl]-3-(3-nitroanilino)thiourea
IUPAC Name:1-[(2S)-2-ethylhexyl]-3-(3-nitroanilino)thiourea
Traditional Name:1-[(2S)-2-ethylhexyl]-3-(3-nitroanilino)thiourea
Formula: C15H24N4O2S
MolecularWeight: 324.44166
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC1=CC(=CC=C1)[N+](=O)[O-]


Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC1=CC(=CC=C1)[N+](=O)[O-]


InChI

InChI=1S/C15H24N4O2S/c1-3-5-7-12(4-2)11-16-15(22)18-17-13-8-6-9-14(10-13)19(20)21/h6,8-10,12,17H,3-5,7,11H2,1-2H3,(H2,16,18,22)/t12-/m0/s1


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