1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-morpholin-4-ylsulfonyl-pyridine-2-thione

Systemtic Name: 1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-morpholin-4-ylsulfonyl-pyridine-2-thione Openeye Name: 1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-morpholinosulfonyl-pyridine-2-thione CAS Name: 1-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-(4-morpholinylsulfonyl)-2-pyridinethione IUPAC Name: 1-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-morpholin-4-ylsulfonylpyridine-2-thione Traditional Name: 1-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-5-morpholinosulfonyl-pyridine-2-thione Formula: C22H31N3O3S2 MolecularWeight: 449.62984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CN2C=C(C=CC2=S)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H31N3O3S2/c1-22(2,3)19-7-5-18(6-8-19)15-23(4)17-24-16-20(9-10-21(24)29)30(26,27)25-11-13-28-14-12-25/h5-10,16H,11-15,17H2,1-4H3