3-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholinoethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-morpholinyl)ethyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(2-morpholinoethyl)-3-piperonyl-1-(4-pyridylmethyl)thiourea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(CC2=CC=NC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1CCN(CC2=CC=NC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O3S/c29-21(23-14-18-1-2-19-20(13-18)28-16-27-19)25(15-17-3-5-22-6-4-17)8-7-24-9-11-26-12-10-24/h1-6,13H,7-12,14-16H2,(H,23,29)