S-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl] N-tert-butylcarbamothioate

Systemtic Name: S-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl] N-tert-butylcarbamothioate Openeye Name: S-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl] N-tert-butylcarbamothioate CAS Name: N-tert-butylcarbamothioic acid S-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl] ester IUPAC Name: S-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl] N-tert-butylcarbamothioate Traditional Name: N-tert-butylthiocarbamic acid S-[(3-cyano-6-methyl-4-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methyl] ester Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)SCC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)SCC1=NC2=C(CN(CC2)C)C(=C1C#N)C3=CC=CC=C3

InChI

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