1-(2,6-diethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea CAS Name: 1-(2,6-diethylphenyl)-3-(2-methyl-4-nitrophenyl)thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-(2-methyl-4-nitrophenyl)thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-(2-methyl-4-nitro-phenyl)thiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O2S/c1-4-13-7-6-8-14(5-2)17(13)20-18(24)19-16-10-9-15(21(22)23)11-12(16)3/h6-11H,4-5H2,1-3H3,(H2,19,20,24)