N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[4-[(3,5-dimethylpiperidino)methyl]thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C21H25N3O3S/c1-13-7-14(2)10-24(9-13)11-16-12-28-21(22-16)23-19(25)18-8-15-5-3-4-6-17(15)20(26)27-18/h3-6,12-14,18H,7-11H2,1-2H3,(H,22,23,25)