4-[3-[3-(4-tert-butylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid

Systemtic Name: 4-[3-[3-(4-tert-butylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Openeye Name: 4-[3-[3-(4-tert-butyl-1-piperidyl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid CAS Name: 4-[3-[[[3-(4-tert-butyl-1-piperidinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid IUPAC Name: 4-[3-[3-(4-tert-butylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Traditional Name: 4-[3-[3-(4-tert-butylpiperidino)propylthiocarbamoylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid Formula: C27H39N5O4S MolecularWeight: 529.69466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=S)NCCCN3CCC(CC3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(N(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)NC(=S)NCCCN3CCC(CC3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H39N5O4S/c1-17-22(24(33)34)32(23(25(35)36)18(2)29-17)21-9-6-8-20(16-21)30-26(37)28-12-7-13-31-14-10-19(11-15-31)27(3,4)5/h6,8-9,16,19,29H,7,10-15H2,1-5H3,(H,33,34)(H,35,36)(H2,28,30,37)