3-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-furylmethyl)-1-(3-morpholinopropyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-furanylmethyl)-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-(2-furfuryl)-1-(3-morpholinopropyl)-3-piperonyl-thiourea Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(CC2=CC=CO2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1CCCN(CC2=CC=CO2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O4S/c29-21(22-14-17-4-5-19-20(13-17)28-16-27-19)24(15-18-3-1-10-26-18)7-2-6-23-8-11-25-12-9-23/h1,3-5,10,13H,2,6-9,11-12,14-16H2,(H,22,29)