1-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-isoamyl-thiourea Formula: C15H19BrFN3OS MolecularWeight: 388.298263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C15H19BrFN3OS/c1-10(2)7-8-18-15(22)20-19-14(21)6-3-11-9-12(16)4-5-13(11)17/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H2,18,20,22)/b6-3+