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

Systemtic Name: dimethyl 4-[3-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylate Openeye Name: dimethyl 4-[3-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylate CAS Name: 4-[3-[[[3-(4-cyclohexyl-1-piperazinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[3-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamothioylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylate Traditional Name: 4-[3-[3-(4-cyclohexylpiperazino)propylthiocarbamoylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid dimethyl ester Formula: C30H44N6O4S MolecularWeight: 584.77316

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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)NCCCN3CCN(CC3)C4CCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(N(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=S)NCCCN3CCN(CC3)C4CCCCC4)C(=O)OC

InChI

InChI=1S/C30H44N6O4S/c1-21-26(28(37)39-3)36(27(22(2)32-21)29(38)40-4)25-13-8-10-23(20-25)33-30(41)31-14-9-15-34-16-18-35(19-17-34)24-11-6-5-7-12-24/h8,10,13,20,24,32H,5-7,9,11-12,14-19H2,1-4H3,(H2,31,33,41)