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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-3-5-9-18(10-6-4-2)16(21)17-13-7-8-14-15(11-13)20-12-19-14/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,21)