1-(4-azanyl-3-nitro-phenyl)-3-(4-butylphenyl)thiourea

Systemtic Name: 1-(4-azanyl-3-nitro-phenyl)-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-amino-3-nitro-phenyl)-3-(4-butylphenyl)thiourea CAS Name: 1-(4-amino-3-nitrophenyl)-3-(4-butylphenyl)thiourea IUPAC Name: 1-(4-amino-3-nitrophenyl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(4-amino-3-nitro-phenyl)-3-(4-butylphenyl)thiourea Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-2-3-4-12-5-7-13(8-6-12)19-17(24)20-14-9-10-15(18)16(11-14)21(22)23/h5-11H,2-4,18H2,1H3,(H2,19,20,24)