1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-dodecyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-dodecyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-dodecyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-cyclohex-3-enylmethyl)-3-dodecylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-dodecylthiourea Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-3-lauryl-1-piperonyl-thiourea Formula: C28H44N2O2S MolecularWeight: 472.72616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)N(CC1CCC=CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCCCCCNC(=S)N(CC1CCC=CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C28H44N2O2S/c1-2-3-4-5-6-7-8-9-10-14-19-29-28(33)30(21-24-15-12-11-13-16-24)22-25-17-18-26-27(20-25)32-23-31-26/h11-12,17-18,20,24H,2-10,13-16,19,21-23H2,1H3,(H,29,33)