2-[[(2S)-2-ethylhexyl]carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[[(2S)-2-ethylhexyl]carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[[(2S)-2-ethylhexyl]carbamothioyl-methyl-amino]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[[(2S)-2-ethylhexyl]carbamothioyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[[(2S)-2-ethylhexyl]thiocarbamoyl-methyl-amino]-N-(4-morpholinophenyl)acetamide Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N(C)CC(=O)NC1=CC=C(C=C1)N2CCOCC2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N(C)CC(=O)NC1=CC=C(C=C1)N2CCOCC2

InChI

InChI=1S/C22H36N4O2S/c1-4-6-7-18(5-2)16-23-22(29)25(3)17-21(27)24-19-8-10-20(11-9-19)26-12-14-28-15-13-26/h8-11,18H,4-7,12-17H2,1-3H3,(H,23,29)(H,24,27)/t18-/m0/s1