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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-24-17-13-15(21(22)23)10-11-16(17)20-18(25)19-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H2,19,20,25)