1-(1,3-benzodioxol-5-yl)-3-octyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-octyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-octyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-octylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-octylthiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-octyl-thiourea Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCCCCNC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H24N2O2S/c1-2-3-4-5-6-7-10-17-16(21)18-13-8-9-14-15(11-13)20-12-19-14/h8-9,11H,2-7,10,12H2,1H3,(H2,17,18,21)