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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-propyl-2-pyridinyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-propylpyridin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-propyl-2-pyridyl)thio]butyramide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N4OS2/c1-3-7-14-11-10-13(12-21)19(22-14)26-16(4-2)18(25)24-20-23-15-8-5-6-9-17(15)27-20/h5-6,8-11,16H,3-4,7H2,1-2H3,(H,23,24,25)