2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C21H22N4OS2/c1-4-5-6-16-9-8-15(12-22)20(23-16)27-14(3)19(26)25-21-24-17-10-7-13(2)11-18(17)28-21/h7-11,14H,4-6H2,1-3H3,(H,24,25,26)