1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(quinazolin-4-ylthio)ethanone Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4OS2/c27-20(13-28-22-16-7-1-2-8-17(16)23-14-24-22)26-11-5-6-15(12-26)21-25-18-9-3-4-10-19(18)29-21/h1-4,7-10,14-15H,5-6,11-13H2/t15-/m1/s1