1-(1,3-benzodioxol-5-yl)-3-(3-ethylpent-1-yn-3-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpent-1-yn-3-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1,1-diethylprop-2-ynyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpent-1-yn-3-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpent-1-yn-3-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1,1-diethylprop-2-ynyl)thiourea Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-4-15(5-2,6-3)17-14(20)16-11-7-8-12-13(9-11)19-10-18-12/h1,7-9H,5-6,10H2,2-3H3,(H2,16,17,20)