N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(coumaran-5-ylmethyl)piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCCNC(=O)C4=CSC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCCNC(=O)C4=CSC=C4

InChI

InChI=1S/C22H27N3O3S/c26-21(2-1-7-23-22(27)19-6-13-29-16-19)25-10-8-24(9-11-25)15-17-3-4-20-18(14-17)5-12-28-20/h3-4,6,13-14,16H,1-2,5,7-12,15H2,(H,23,27)