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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C27H24N6O2S2 MolecularWeight: 528.64846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)N)C#N

InChI

InChI=1S/C27H24N6O2S2/c1-14(2)16-5-7-17(8-6-16)23-19(12-28)24(30)32-26(20(23)13-29)36-15(3)25(34)33-27-31-21-10-9-18(35-4)11-22(21)37-27/h5-11,14-15H,1-4H3,(H2,30,32)(H,31,33,34)