(2S)-N-(1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4OS2/c1-13(19(25)24-20-23-15-9-5-6-10-17(15)27-20)26-18-11-16(21-12-22-18)14-7-3-2-4-8-14/h2-13H,1H3,(H,23,24,25)/t13-/m0/s1