2-[(1S)-2-(2-morpholin-4-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(1S)-2-(2-morpholin-4-ylcarbothioylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(1S)-2-[2-(morpholine-4-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-cyclohexen-1-olate CAS Name: 2-[(1S)-2-[2-[[4-morpholinyl(sulfanylidene)methyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(1S)-2-[2-(morpholine-4-carbothioylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]-3-oxocyclohexen-1-olate Traditional Name: 3-keto-2-[(1S)-2-[2-(morpholine-4-carbothioylthio)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]cyclohexen-1-olate Formula: C22H25N2O4S2- MolecularWeight: 445.5749

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C2C3=CC=CC=C3CCN2C(=O)CSC(=S)N4CCOCC4)[O-]

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3CCN2C(=O)CSC(=S)N4CCOCC4)[O-]

InChI

InChI=1S/C22H26N2O4S2/c25-17-6-3-7-18(26)20(17)21-16-5-2-1-4-15(16)8-9-24(21)19(27)14-30-22(29)23-10-12-28-13-11-23/h1-2,4-5,21,25H,3,6-14H2/p-1/t21-/m0/s1