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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentan-3-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylpropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentan-3-ylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentan-3-ylthiourea Traditional Name: 1-(1-ethylpropyl)-3-piperonyl-thiourea Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(CC)NC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H20N2O2S/c1-3-11(4-2)16-14(19)15-8-10-5-6-12-13(7-10)18-9-17-12/h5-7,11H,3-4,8-9H2,1-2H3,(H2,15,16,19)