3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C28H28N4OS2 MolecularWeight: 500.67812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H28N4OS2/c1-2-3-9-22-12-10-21(17-29)27(31-22)34-15-14-26(33)32-28-24(18-30)23-13-11-20(16-25(23)35-28)19-7-5-4-6-8-19/h4-8,10,12,20H,2-3,9,11,13-16H2,1H3,(H,32,33)