3-(2-dimethylaminoethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(2-dimethylaminoethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-(2-dimethylaminoethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[(2-dimethylaminoethylthio)methyl]-6-methoxy-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-(2-dimethylaminoethylsulfanylmethyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[(2-dimethylaminoethylthio)methyl]-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CSCCN(C)C

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CSCCN(C)C

InChI

InChI=1S/C22H26N2O2S/c1-23(2)12-13-27-15-20-21(16-8-6-5-7-9-16)19-14-17(26-4)10-11-18(19)22(25)24(20)3/h5-11,14H,12-13,15H2,1-4H3