N-(3-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S2/c26-20(14-29-21-18-9-2-3-10-19(18)22-15-23-21)24-16-7-6-8-17(13-16)30(27,28)25-11-4-1-5-12-25/h2-3,6-10,13,15H,1,4-5,11-12,14H2,(H,24,26)