2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C22H22N6O2S2 MolecularWeight: 466.57908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=C(C(=C(C(=N3)N)C#N)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=C(C(=C(C(=N3)N)C#N)C(C)C)C#N

InChI

InChI=1S/C22H22N6O2S2/c1-5-16(20(29)28-22-26-15-7-6-12(30-4)8-17(15)32-22)31-21-14(10-24)18(11(2)3)13(9-23)19(25)27-21/h6-8,11,16H,5H2,1-4H3,(H2,25,27)(H,26,28,29)