S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 4-(propan-2-ylcarbamoyl)piperazine-1-carbothioate

Systemtic Name: S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 4-(propan-2-ylcarbamoyl)piperazine-1-carbothioate Openeye Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) 4-(isopropylcarbamoyl)piperazine-1-carbothioate CAS Name: 4-[oxo-(propan-2-ylamino)methyl]-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-(propan-2-ylcarbamoyl)piperazine-1-carbothioate Traditional Name: 4-(isopropylcarbamoyl)piperazine-1-carbothioic acid S-(4-ketopyrido[1,2-a]pyrimidin-9-yl) ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C(=O)SC2=CC=CN3C2=NC=CC3=O

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C(=O)SC2=CC=CN3C2=NC=CC3=O

InChI

InChI=1S/C17H21N5O3S/c1-12(2)19-16(24)20-8-10-21(11-9-20)17(25)26-13-4-3-7-22-14(23)5-6-18-15(13)22/h3-7,12H,8-11H2,1-2H3,(H,19,24)