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

Systemtic Name: dimethyl 4-[3-[3-(4-tert-butylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylate Openeye Name: dimethyl 4-[3-[3-(4-tert-butyl-1-piperidyl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylate CAS Name: 4-[3-[[[3-(4-tert-butyl-1-piperidinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[3-[3-(4-tert-butylpiperidin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylate Traditional Name: 4-[3-[3-(4-tert-butylpiperidino)propylthiocarbamoylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid dimethyl ester Formula: C29H43N5O4S MolecularWeight: 557.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43N5O4S/c1-19-24(26(35)37-6)34(25(20(2)31-19)27(36)38-7)23-11-8-10-22(18-23)32-28(39)30-14-9-15-33-16-12-21(13-17-33)29(3,4)5/h8,10-11,18,21,31H,9,12-17H2,1-7H3,(H2,30,32,39)