S-cyclohexyl 4-oxidanylidene-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioate

Systemtic Name: S-cyclohexyl 4-oxidanylidene-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioate Openeye Name: S-cyclohexyl 4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioate CAS Name: 4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioic acid S-cyclohexyl ester IUPAC Name: S-cyclohexyl 4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioate Traditional Name: 4-keto-3,6,7,11b-tetrahydro-1H-pyrazin[2,1-a]isoquinoline-2-carbothioic acid S-cyclohexyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2

Isomeric SMILES

C1CCC(CC1)SC(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2

InChI

InChI=1S/C19H24N2O2S/c22-18-13-20(19(23)24-15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2