N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-[2-[4-(1-oxooctyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[2-(4-octanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-caprylylpiperazino)ethyl]-N-(4-fluorobenzyl)thiophene-2-carboxamide Formula: C26H36FN3O2S MolecularWeight: 473.646343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C26H36FN3O2S/c1-2-3-4-5-6-9-25(31)29-17-14-28(15-18-29)16-19-30(26(32)24-8-7-20-33-24)21-22-10-12-23(27)13-11-22/h7-8,10-13,20H,2-6,9,14-19,21H2,1H3