O-[1,3-bis(oxidanylidene)-2-phenylmethoxy-benzo[de]isoquinolin-5-yl] N,N-dimethylcarbamothioate

Systemtic Name: O-[1,3-bis(oxidanylidene)-2-phenylmethoxy-benzo[de]isoquinolin-5-yl] N,N-dimethylcarbamothioate Openeye Name: O-(2-benzyloxy-1,3-dioxo-benzo[de]isoquinolin-5-yl) N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[(1,3-dioxo-2-phenylmethoxy-5-benzo[de]isoquinolinyl)] ester IUPAC Name: O-(1,3-dioxo-2-phenylmethoxybenzo[de]isoquinolin-5-yl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-(2-benzoxy-1,3-diketo-benzo[de]isoquinolin-5-yl) ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)OC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=S)OC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c1-23(2)22(29)28-16-11-15-9-6-10-17-19(15)18(12-16)21(26)24(20(17)25)27-13-14-7-4-3-5-8-14/h3-12H,13H2,1-2H3