1-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[(5-fluoro-3-methyl-benzofuran-2-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C19H26FN3O2S MolecularWeight: 379.492043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=C(C2=C(O1)C=CC(=C2)F)C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=C(C2=C(O1)C=CC(=C2)F)C

InChI

InChI=1S/C19H26FN3O2S/c1-4-5-6-7-12(2)11-21-19(26)23-22-18(24)17-13(3)15-10-14(20)8-9-16(15)25-17/h8-10,12H,4-7,11H2,1-3H3,(H,22,24)(H2,21,23,26)/t12-/m0/s1