1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]thiourea Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C=CC2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)/C=C/C2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/C20H22FN3O2S/c1-4-15-7-5-6-13(2)19(15)22-20(27)24-23-18(25)11-9-14-8-10-17(26-3)16(21)12-14/h5-12H,4H2,1-3H3,(H,23,25)(H2,22,24,27)/b11-9+