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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O3S/c1-3-4-7-13-8-5-6-9-15(13)19-18(25)20-16-11-10-14(21(22)23)12-17(16)24-2/h5-6,8-12H,3-4,7H2,1-2H3,(H2,19,20,25)