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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

InChI

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