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

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazino]-3-keto-propyl]thiophene-3-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c25-20(3-6-22-21(26)18-5-12-28-15-18)24-9-7-23(8-10-24)14-16-1-2-19-17(13-16)4-11-27-19/h1-2,5,12-13,15H,3-4,6-11,14H2,(H,22,26)