1-(4-butylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-methyl-5-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/c1-3-4-5-14-7-9-15(10-8-14)19-18(24)20-17-12-16(21(22)23)11-6-13(17)2/h6-12H,3-5H2,1-2H3,(H2,19,20,24)