1-(4-fluorophenyl)-3-[(4-hexoxy-3-methoxy-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[(4-hexoxy-3-methoxy-phenyl)carbonylamino]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[(4-hexoxy-3-methoxy-benzoyl)amino]thiourea CAS Name: 1-(4-fluorophenyl)-3-[[(4-hexoxy-3-methoxyphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[(4-hexoxy-3-methoxybenzoyl)amino]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[(4-hexoxy-3-methoxy-benzoyl)amino]thiourea Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C21H26FN3O3S/c1-3-4-5-6-13-28-18-12-7-15(14-19(18)27-2)20(26)24-25-21(29)23-17-10-8-16(22)9-11-17/h7-12,14H,3-6,13H2,1-2H3,(H,24,26)(H2,23,25,29)