1,3-benzodioxol-5-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-(3-thienyl)quinazolin-4-yl]piperazino]methanone Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CSC=C4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CSC=C4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H20N4O3S/c29-24(16-5-6-20-21(13-16)31-15-30-20)28-10-8-27(9-11-28)23-18-3-1-2-4-19(18)25-22(26-23)17-7-12-32-14-17/h1-7,12-14H,8-11,15H2