1-(1,3-benzodioxol-5-yl)-3-butan-2-yl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-butan-2-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-sec-butyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-butan-2-ylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-butan-2-ylthiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-sec-butyl-thiourea Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)NC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H16N2O2S/c1-3-8(2)13-12(17)14-9-4-5-10-11(6-9)16-7-15-10/h4-6,8H,3,7H2,1-2H3,(H2,13,14,17)