2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)SCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H21N3O2S/c1-12-9-13(2)21-19(17(12)18(20)24)25-11-16(23)22-8-7-14-5-3-4-6-15(14)10-22/h3-6,9H,7-8,10-11H2,1-2H3,(H2,20,24)