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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(1-cyclohex-3-enylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)thiourea Traditional Name: 3-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-1-piperonyl-thiourea Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-20(2,3)21-19(25)22(12-15-7-5-4-6-8-15)13-16-9-10-17-18(11-16)24-14-23-17/h4-5,9-11,15H,6-8,12-14H2,1-3H3,(H,21,25)