1-[(4-fluorophenyl)methyl]-3-[(4-hexoxyphenyl)carbonylamino]thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(4-hexoxyphenyl)carbonylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(4-hexoxybenzoyl)amino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[[(4-hexoxyphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(4-hexoxybenzoyl)amino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(4-hexoxybenzoyl)amino]thiourea Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FN3O2S/c1-2-3-4-5-14-27-19-12-8-17(9-13-19)20(26)24-25-21(28)23-15-16-6-10-18(22)11-7-16/h6-13H,2-5,14-15H2,1H3,(H,24,26)(H2,23,25,28)