N-tert-butyl-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetamide IUPAC Name: N-tert-butyl-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[(3-cyano-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-22(2,3)25-19(27)14-28-21-16(12-23)20(15-8-6-5-7-9-15)17-13-26(4)11-10-18(17)24-21/h5-9H,10-11,13-14H2,1-4H3,(H,25,27)/p+1