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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N4OS2/c1-3-5-8-15-12-11-14(13-22)20(23-15)27-17(4-2)19(26)25-21-24-16-9-6-7-10-18(16)28-21/h6-7,9-12,17H,3-5,8H2,1-2H3,(H,24,25,26)