9,10-dimethoxy-4-oxidanylidene-N-phenyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide

Systemtic Name: 9,10-dimethoxy-4-oxidanylidene-N-phenyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide Openeye Name: 9,10-dimethoxy-4-oxo-N-phenyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide CAS Name: 9,10-dimethoxy-4-oxo-N-phenyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide IUPAC Name: 9,10-dimethoxy-4-oxo-N-phenyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide Traditional Name: 4-keto-9,10-dimethoxy-N-phenyl-3,6,7,11b-tetrahydro-1H-pyrazin[2,1-a]isoquinoline-2-carbothioamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3CN(CC(=O)N3CCC2=C1)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C3CN(CC(=O)N3CCC2=C1)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-10-14-8-9-24-17(16(14)11-19(18)27-2)12-23(13-20(24)25)21(28)22-15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H,22,28)