S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioate

Systemtic Name: S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioate Openeye Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioate CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinecarbothioic acid S-(4-oxo-9-pyrido[1,2-a]pyrimidinyl) ester IUPAC Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) 4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carbothioate Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]piperazine-1-carbothioic acid S-(4-ketopyrido[1,2-a]pyrimidin-9-yl) ester Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)SC4=CC=CN5C4=NC=CC5=O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)SC4=CC=CN5C4=NC=CC5=O

InChI

InChI=1S/C26H23ClN4O2S/c27-21-10-8-20(9-11-21)24(19-5-2-1-3-6-19)29-15-17-30(18-16-29)26(33)34-22-7-4-14-31-23(32)12-13-28-25(22)31/h1-14,24H,15-18H2