2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]ethyl]-1H-quinazolin-4-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS/c1-14(20-23-17-9-3-2-8-16(17)21(27)25-20)26-12-6-7-15(13-26)22-24-18-10-4-5-11-19(18)28-22/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H,23,25,27)/t14-,15+/m0/s1