1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-dodecyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-lauryl-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C27H39N3O2S MolecularWeight: 469.68246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CC=N3

Isomeric SMILES

CCCCCCCCCCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CC=N3

InChI

InChI=1S/C27H39N3O2S/c1-2-3-4-5-6-7-8-9-10-12-18-29-27(33)30(21-24-14-11-13-17-28-24)20-23-15-16-25-26(19-23)32-22-31-25/h11,13-17,19H,2-10,12,18,20-22H2,1H3,(H,29,33)