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

Systemtic Name: 1-[[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]amino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C17H15BrFN3O2S MolecularWeight: 424.287303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H15BrFN3O2S/c1-24-14-4-2-3-13(10-14)20-17(25)22-21-16(23)8-5-11-9-12(18)6-7-15(11)19/h2-10H,1H3,(H,21,23)(H2,20,22,25)/b8-5+