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

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-pyridin-2-ylsulfanyl-propanamide Openeye Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-pyridylsulfanyl)propanamide CAS Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-pyridinylthio)propanamide IUPAC Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide Traditional Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-pyridylthio)propionamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3OS2/c1-15(27-20-8-4-5-13-23-20)22(26)24-17-11-9-16(10-12-17)14-21-25-18-6-2-3-7-19(18)28-21/h2-13,15H,14H2,1H3,(H,24,26)/t15-/m1/s1