1-(4-azanyl-3-nitro-phenyl)-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-[(2S)-2-ethylhexyl]thiourea Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O2S/c1-3-5-6-11(4-2)10-17-15(22)18-12-7-8-13(16)14(9-12)19(20)21/h7-9,11H,3-6,10,16H2,1-2H3,(H2,17,18,22)/t11-/m0/s1