N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C19H21N3O2S/c20-18(23)13-25-17-8-4-3-7-16(17)21-19(24)12-22-10-9-14-5-1-2-6-15(14)11-22/h1-8H,9-13H2,(H2,20,23)(H,21,24)