2-[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24FN3O3S MolecularWeight: 405.486263

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C20H24FN3O3S/c1-24(10-12-7-8-15(27-2)14(21)9-12)11-17(25)23-20-18(19(22)26)13-5-3-4-6-16(13)28-20/h7-9H,3-6,10-11H2,1-2H3,(H2,22,26)(H,23,25)