1-[2-(1-benzofuran-2-ylcarbonyl)-3-(3-fluoranyl-4-piperidin-1-yl-phenyl)phenyl]thiourea

Systemtic Name: 1-[2-(1-benzofuran-2-ylcarbonyl)-3-(3-fluoranyl-4-piperidin-1-yl-phenyl)phenyl]thiourea Openeye Name: [2-(benzofuran-2-carbonyl)-3-[3-fluoro-4-(1-piperidyl)phenyl]phenyl]thiourea CAS Name: [2-[2-benzofuranyl(oxo)methyl]-3-[3-fluoro-4-(1-piperidinyl)phenyl]phenyl]thiourea IUPAC Name: [2-(1-benzofuran-2-carbonyl)-3-(3-fluoro-4-piperidin-1-ylphenyl)phenyl]thiourea Traditional Name: [2-(benzofuran-2-carbonyl)-3-(3-fluoro-4-piperidino-phenyl)phenyl]thiourea Formula: C27H24FN3O2S MolecularWeight: 473.561763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=C(C(=CC=C3)NC(=S)N)C(=O)C4=CC5=CC=CC=C5O4)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=C(C(=CC=C3)NC(=S)N)C(=O)C4=CC5=CC=CC=C5O4)F

InChI

InChI=1S/C27H24FN3O2S/c28-20-15-17(11-12-22(20)31-13-4-1-5-14-31)19-8-6-9-21(30-27(29)34)25(19)26(32)24-16-18-7-2-3-10-23(18)33-24/h2-3,6-12,15-16H,1,4-5,13-14H2,(H3,29,30,34)