7-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one

Systemtic Name: 7-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Openeye Name: 7-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-hexyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one CAS Name: 7-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-oxohexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one IUPAC Name: 7-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Traditional Name: 7-[6-keto-6-(4-piperonylpiperazino)hexyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C(=O)C5=CC6=C(C=C5NC4=S)OCO6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCCN4C(=O)C5=CC6=C(C=C5NC4=S)OCO6

InChI

InChI=1S/C27H30N4O6S/c32-25(30-10-8-29(9-11-30)15-18-5-6-21-22(12-18)35-16-34-21)4-2-1-3-7-31-26(33)19-13-23-24(37-17-36-23)14-20(19)28-27(31)38/h5-6,12-14H,1-4,7-11,15-17H2,(H,28,38)