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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-3-4-5-15-7-6-14(13-22)20(23-15)28-11-10-19(26)25-21-24-17-9-8-16(27-2)12-18(17)29-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,24,25,26)