N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylcarbamothioylamino)heptanamide

Systemtic Name: N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylcarbamothioylamino)heptanamide Openeye Name: N-cyclohexyl-N-(2-morpholinoethoxy)-7-(3-pyridylcarbamothioylamino)heptanamide CAS Name: N-cyclohexyl-N-[2-(4-morpholinyl)ethoxy]-7-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]heptanamide IUPAC Name: N-cyclohexyl-N-(2-morpholin-4-ylethoxy)-7-(pyridin-3-ylcarbamothioylamino)heptanamide Traditional Name: N-cyclohexyl-N-(2-morpholinoethoxy)-7-(3-pyridylthiocarbamoylamino)enanthamide Formula: C25H41N5O3S MolecularWeight: 491.68974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N5O3S/c31-24(12-6-1-2-7-14-27-25(34)28-22-9-8-13-26-21-22)30(23-10-4-3-5-11-23)33-20-17-29-15-18-32-19-16-29/h8-9,13,21,23H,1-7,10-12,14-20H2,(H2,27,28,34)