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

Systemtic Name: 1-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-propan-2-yl-thiourea Openeye Name: 1-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-isopropyl-thiourea Formula: C13H15BrFN3OS MolecularWeight: 360.245103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrFN3OS/c1-8(2)16-13(20)18-17-12(19)6-3-9-7-10(14)4-5-11(9)15/h3-8H,1-2H3,(H,17,19)(H2,16,18,20)/b6-3+