N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]isochroman-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=CS4

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=CS4

InChI

InChI=1S/C22H26N2O3S/c1-15-8-10-24(11-9-15)18(20-7-4-12-28-20)14-23-21(25)19-13-16-5-2-3-6-17(16)22(26)27-19/h2-7,12,15,18-19H,8-11,13-14H2,1H3,(H,23,25)