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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C20H15ClN4OS2 MolecularWeight: 426.9423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4OS2/c1-12(19(26)25-20-24-15-8-7-14(21)9-17(15)28-20)27-18-10-16(22-11-23-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,25,26)