N-[4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(2-chloro-6-fluoro-benzyl)piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C20H23ClFN3O2S MolecularWeight: 423.931923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H23ClFN3O2S/c21-17-3-1-4-18(22)16(17)13-24-8-10-25(11-9-24)19(26)5-2-7-23-20(27)15-6-12-28-14-15/h1,3-4,6,12,14H,2,5,7-11,13H2,(H,23,27)