N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(quinazolin-4-ylthio)acetamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H18N4OS2/c1-13(19-23-16-9-5-6-10-17(16)27-19)24(2)18(25)11-26-20-14-7-3-4-8-15(14)21-12-22-20/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1