1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-piperonyl-1-(3-pyridylmethyl)thiourea Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C23H29N3O2S/c29-23(25-20-8-4-2-1-3-5-9-20)26(16-19-7-6-12-24-14-19)15-18-10-11-21-22(13-18)28-17-27-21/h6-7,10-14,20H,1-5,8-9,15-17H2,(H,25,29)