1-(4-bromanyl-2-fluoranyl-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(4-bromo-2-fluorophenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(4-bromo-2-fluorophenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C20H19BrFN3OS MolecularWeight: 448.351763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)CNC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)CNC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H19BrFN3OS/c21-13-7-8-17(16(22)11-13)24-20(26)23-12-15-14-5-1-2-6-18(14)27-19(15)25-9-3-4-10-25/h3-4,7-11H,1-2,5-6,12H2,(H2,23,24,26)