1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-(3,4,5-trimethoxyphenyl)sulfanyl-butan-1-one

Systemtic Name: 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-(3,4,5-trimethoxyphenyl)sulfanyl-butan-1-one Openeye Name: 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-(3,4,5-trimethoxyphenyl)sulfanyl-butan-1-one CAS Name: 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-[(3,4,5-trimethoxyphenyl)thio]-1-butanone IUPAC Name: 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-(3,4,5-trimethoxyphenyl)sulfanylbutan-1-one Traditional Name: 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-[(3,4,5-trimethoxyphenyl)thio]butan-1-one Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SCCCC(=O)N2CCN3CCCCC3C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SCCCC(=O)N2CCN3CCCCC3C2

InChI

InChI=1S/C21H32N2O4S/c1-25-18-13-17(14-19(26-2)21(18)27-3)28-12-6-8-20(24)23-11-10-22-9-5-4-7-16(22)15-23/h13-14,16H,4-12,15H2,1-3H3