1-tert-butyl-3-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]thiourea Formula: C14H17ClFN3OS MolecularWeight: 329.820683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C=CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)/C=C/C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C14H17ClFN3OS/c1-14(2,3)17-13(21)19-18-12(20)8-7-9-10(15)5-4-6-11(9)16/h4-8H,1-3H3,(H,18,20)(H2,17,19,21)/b8-7+