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

Systemtic Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide CAS Name: 4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-([1,3]dioxolo[4,5-g]quinazolin-8-yl)piperazine-1-carbothioamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c29-21(22-12-15-4-2-1-3-5-15)26-8-6-25(7-9-26)20-16-10-18-19(28-14-27-18)11-17(16)23-13-24-20/h1-5,10-11,13H,6-9,12,14H2,(H,22,29)