N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=CC=C3SCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(=O)NC3=CC=CC=C3SCC(=O)N)OC

InChI

InChI=1S/C21H25N3O4S/c1-27-17-9-14-7-8-24(11-15(14)10-18(17)28-2)12-21(26)23-16-5-3-4-6-19(16)29-13-20(22)25/h3-6,9-10H,7-8,11-13H2,1-2H3,(H2,22,25)(H,23,26)