N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyrimidin-4-ylcarbamothioylamino)heptanamide

Systemtic Name: N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyrimidin-4-ylcarbamothioylamino)heptanamide Openeye Name: N-cyclohexyl-N-(2-morpholinoethoxy)-7-(pyrimidin-4-ylcarbamothioylamino)heptanamide CAS Name: N-cyclohexyl-N-[2-(4-morpholinyl)ethoxy]-7-[[(4-pyrimidinylamino)-sulfanylidenemethyl]amino]heptanamide IUPAC Name: N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyrimidin-4-ylcarbamothioylamino)heptanamide Traditional Name: N-cyclohexyl-N-(2-morpholinoethoxy)-7-(4-pyrimidylthiocarbamoylamino)enanthamide Formula: C24H40N6O3S MolecularWeight: 492.6778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C(=O)CCCCCCNC(=S)NC2=NC=NC=C2)OCCN3CCOCC3

Isomeric SMILES

C1CCC(CC1)N(C(=O)CCCCCCNC(=S)NC2=NC=NC=C2)OCCN3CCOCC3

InChI

InChI=1S/C24H40N6O3S/c31-23(10-6-1-2-7-12-26-24(34)28-22-11-13-25-20-27-22)30(21-8-4-3-5-9-21)33-19-16-29-14-17-32-18-15-29/h11,13,20-21H,1-10,12,14-19H2,(H2,25,26,27,28,34)