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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-pentan-2-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methylbutyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-pentan-2-ylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-pentan-2-ylthiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methylbutyl)thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-3-4-9(2)14-13(18)15-10-5-6-11-12(7-10)17-8-16-11/h5-7,9H,3-4,8H2,1-2H3,(H2,14,15,18)