2-phenyl-1-piperidin-1-yl-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 2-phenyl-1-piperidin-1-yl-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 2-phenyl-1-(1-piperidyl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 2-phenyl-1-(1-piperidinyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 2-phenyl-1-piperidin-1-yl-2-quinazolin-4-ylsulfanylethanone Traditional Name: 2-phenyl-1-piperidino-2-(quinazolin-4-ylthio)ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3OS/c25-21(24-13-7-2-8-14-24)19(16-9-3-1-4-10-16)26-20-17-11-5-6-12-18(17)22-15-23-20/h1,3-6,9-12,15,19H,2,7-8,13-14H2