1-(4-butylphenyl)-3-(2-methyl-3-nitro-phenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O2S/c1-3-4-6-14-9-11-15(12-10-14)19-18(24)20-16-7-5-8-17(13(16)2)21(22)23/h5,7-12H,3-4,6H2,1-2H3,(H2,19,20,24)