S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl) 4-(2-methoxyphenyl)piperazine-1-carbothioate

Systemtic Name: S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl) 4-(2-methoxyphenyl)piperazine-1-carbothioate Openeye Name: S-(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-(2-methoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(2-methoxyphenyl)-1-piperazinecarbothioic acid S-(4-oxo-2-pyrido[1,2-a]pyrimidinyl) ester IUPAC Name: S-(4-oxopyrido[1,2-a]pyrimidin-2-yl) 4-(2-methoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(2-methoxyphenyl)piperazine-1-carbothioic acid S-(4-ketopyrido[1,2-a]pyrimidin-2-yl) ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)SC3=CC(=O)N4C=CC=CC4=N3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)SC3=CC(=O)N4C=CC=CC4=N3

InChI

InChI=1S/C20H20N4O3S/c1-27-16-7-3-2-6-15(16)22-10-12-23(13-11-22)20(26)28-18-14-19(25)24-9-5-4-8-17(24)21-18/h2-9,14H,10-13H2,1H3