4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC4=C(C=C32)OCO4)C(=S)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC4=C(C=C32)OCO4)C(=S)NCC5=CN=CC=C5

InChI

InChI=1S/C20H20N6O2S/c29-20(22-11-14-2-1-3-21-10-14)26-6-4-25(5-7-26)19-15-8-17-18(28-13-27-17)9-16(15)23-12-24-19/h1-3,8-10,12H,4-7,11,13H2,(H,22,29)