1-(2-ethylhexyl)-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(2-ethylhexyl)-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-(2-ethylhexyl)-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(2-ethylhexyl)-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-(2-ethylhexyl)-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-(2-ethylhexyl)-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-4-6-7-13(5-2)11-17-16(22)18-15-10-14(19(20)21)9-8-12(15)3/h8-10,13H,4-7,11H2,1-3H3,(H2,17,18,22)