3-[1-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluoranyl-phenyl]ethoxy]thiophene-2-carboxamide

Systemtic Name: 3-[1-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluoranyl-phenyl]ethoxy]thiophene-2-carboxamide Openeye Name: 3-[1-[3-(1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]ethoxy]thiophene-2-carboxamide CAS Name: 3-[1-[3-[1,4-diazepan-1-yl(oxo)methyl]-4-fluorophenyl]ethoxy]-2-thiophenecarboxamide IUPAC Name: 3-[1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]ethoxy]thiophene-2-carboxamide Traditional Name: 3-[1-[3-(1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]ethoxy]thiophene-2-carboxamide Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)C(=O)N2CCCNCC2)OC3=C(SC=C3)C(=O)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)F)C(=O)N2CCCNCC2)OC3=C(SC=C3)C(=O)N

InChI

InChI=1S/C19H22FN3O3S/c1-12(26-16-5-10-27-17(16)18(21)24)13-3-4-15(20)14(11-13)19(25)23-8-2-6-22-7-9-23/h3-5,10-12,22H,2,6-9H2,1H3,(H2,21,24)