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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propionamide Formula: C29H30N4O2S2 MolecularWeight: 530.7041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C29H30N4O2S2/c1-29(2,3)20-8-11-22-23(17-31)28(37-25(22)15-20)33-26(34)13-14-36-27-19(16-30)7-12-24(32-27)18-5-9-21(35-4)10-6-18/h5-7,9-10,12,20H,8,11,13-15H2,1-4H3,(H,33,34)