1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-cyclohexenyl)ethyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C23H27N3O2S/c29-23(25-13-11-18-6-2-1-3-7-18)26(16-20-8-4-5-12-24-20)15-19-9-10-21-22(14-19)28-17-27-21/h4-6,8-10,12,14H,1-3,7,11,13,15-17H2,(H,25,29)