2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N-(4-phenylthiazol-2-yl)acetamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S2/c26-20(24-22-23-19(13-29-22)17-7-2-1-3-8-17)14-28-15-21(27)25-11-10-16-6-4-5-9-18(16)12-25/h1-9,13H,10-12,14-15H2,(H,23,24,26)