1-(4-butylphenyl)-3-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]thiourea Formula: C21H24FN3O2S MolecularWeight: 401.497563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H24FN3O2S/c1-3-4-5-15-6-10-17(11-7-15)23-21(28)25-24-20(26)13-9-16-8-12-19(27-2)18(22)14-16/h6-14H,3-5H2,1-2H3,(H,24,26)(H2,23,25,28)/b13-9+