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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)N)C#N

InChI

InChI=1S/C21H20N6O2S2/c1-11(2)18-13(9-22)19(24)27-20(14(18)10-23)30-7-6-17(28)26-21-25-15-5-4-12(29-3)8-16(15)31-21/h4-5,8,11H,6-7H2,1-3H3,(H2,24,27)(H,25,26,28)