N-(1,3-benzodioxol-5-yl)-1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(quinazolin-4-ylthio)acetyl]isonipecotamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C23H22N4O4S/c28-21(12-32-23-17-3-1-2-4-18(17)24-13-25-23)27-9-7-15(8-10-27)22(29)26-16-5-6-19-20(11-16)31-14-30-19/h1-6,11,13,15H,7-10,12,14H2,(H,26,29)