(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-pyrimidylthio)propionamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)SC4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)SC4=NC=CC=N4

InChI

InChI=1S/C21H18N4OS2/c1-14(27-21-22-11-4-12-23-21)20(26)24-16-9-7-15(8-10-16)13-19-25-17-5-2-3-6-18(17)28-19/h2-12,14H,13H2,1H3,(H,24,26)/t14-/m1/s1