4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-ketopyrrolidino)phenyl]piperazine-1-carbothioamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)N5CCCC5=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)N5CCCC5=O)OC

InChI

InChI=1S/C25H28N6O3S/c1-33-21-14-19-20(15-22(21)34-2)26-16-27-24(19)29-10-12-30(13-11-29)25(35)28-17-5-7-18(8-6-17)31-9-3-4-23(31)32/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,28,35)