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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-heptyl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-heptyl-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-heptyl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-heptyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-heptyl-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-2-3-4-5-7-13-24-22(28)25(16-19-9-6-8-12-23-19)15-18-10-11-20-21(14-18)27-17-26-20/h6,8-12,14H,2-5,7,13,15-17H2,1H3,(H,24,28)