N-[(4-methylphenyl)methyl]-1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxamide Openeye Name: N-(p-tolylmethyl)-1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[2-(quinazolin-4-ylthio)acetyl]isonipecotamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C24H26N4O2S/c1-17-6-8-18(9-7-17)14-25-23(30)19-10-12-28(13-11-19)22(29)15-31-24-20-4-2-3-5-21(20)26-16-27-24/h2-9,16,19H,10-15H2,1H3,(H,25,30)