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

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)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide 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)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C28H26N6O2S2 MolecularWeight: 542.67504

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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)C4=CC=C(C=C4)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)C4=CC=C(C=C4)C(C)C)C#N

InChI

InChI=1S/C28H26N6O2S2/c1-5-22(26(35)34-28-32-21-11-10-18(36-4)12-23(21)38-28)37-27-20(14-30)24(19(13-29)25(31)33-27)17-8-6-16(7-9-17)15(2)3/h6-12,15,22H,5H2,1-4H3,(H2,31,33)(H,32,34,35)