2-[(1S)-1-(4H-3,1-benzothiazin-2-ylsulfanyl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-(4H-3,1-benzothiazin-2-ylsulfanyl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-(4H-3,1-benzothiazin-2-ylsulfanyl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-(4H-3,1-benzothiazin-2-ylthio)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-(4H-3,1-benzothiazin-2-ylsulfanyl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-(4H-3,1-benzothiazin-2-ylthio)ethyl]-1H-quinazolin-4-one Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4CS3

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C18H15N3OS2/c1-11(16-19-15-9-5-3-7-13(15)17(22)21-16)24-18-20-14-8-4-2-6-12(14)10-23-18/h2-9,11H,10H2,1H3,(H,19,21,22)/t11-/m0/s1