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

Systemtic Name: 1-(4-butylphenyl)-3-(4-methoxy-2-nitro-phenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(4-methoxy-2-nitro-phenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-(4-methoxy-2-nitrophenyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(4-methoxy-2-nitrophenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-methoxy-2-nitro-phenyl)thiourea Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-3-4-5-13-6-8-14(9-7-13)19-18(25)20-16-11-10-15(24-2)12-17(16)21(22)23/h6-12H,3-5H2,1-2H3,(H2,19,20,25)