1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(1-ethylhexyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-3-octan-3-yl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(1-ethylhexyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C22H38N4OS MolecularWeight: 406.62832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=NC=C2

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=NC=C2

InChI

InChI=1S/C22H38N4OS/c1-3-5-6-8-21(4-2)24-22(28)26(19-20-9-11-23-12-10-20)14-7-13-25-15-17-27-18-16-25/h9-12,21H,3-8,13-19H2,1-2H3,(H,24,28)