3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C(=S)O2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N4O3S2/c1-3-25(4-2)31(27,28)20-11-7-10-18(14-20)21-23-26(22(30)29-21)16-24-13-12-17-8-5-6-9-19(17)15-24/h5-11,14H,3-4,12-13,15-16H2,1-2H3