1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-(2-furylmethyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-(2-furanylmethyl)-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(2-furfuryl)-1-(3-morpholinopropyl)thiourea Formula: C21H37N3O2S MolecularWeight: 395.60238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CO2

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CO2

InChI

InChI=1S/C21H37N3O2S/c1-3-5-6-9-19(4-2)22-21(27)24(18-20-10-7-15-26-20)12-8-11-23-13-16-25-17-14-23/h7,10,15,19H,3-6,8-9,11-14,16-18H2,1-2H3,(H,22,27)