(10aR)-2-(4-butylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one

Systemtic Name: (10aR)-2-(4-butylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Openeye Name: (10aR)-2-(4-butylphenyl)-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one CAS Name: (10aR)-2-(4-butylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one IUPAC Name: (10aR)-2-(4-butylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one Traditional Name: (10aR)-2-(4-butylphenyl)-7,8-dimethoxy-3-thioxo-10,10a-dihydro-5H-imidaz[1,5-b]isoquinolin-1-one Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3CC4=CC(=C(C=C4CN3C2=S)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)[C@H]3CC4=CC(=C(C=C4CN3C2=S)OC)OC

InChI

InChI=1S/C23H26N2O3S/c1-4-5-6-15-7-9-18(10-8-15)25-22(26)19-11-16-12-20(27-2)21(28-3)13-17(16)14-24(19)23(25)29/h7-10,12-13,19H,4-6,11,14H2,1-3H3/t19-/m1/s1