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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-cyclooctyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-cyclooctyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-cyclooctylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-cyclooctylthiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-cyclooctyl-thiourea Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O2S/c21-16(17-12-6-4-2-1-3-5-7-12)18-13-8-9-14-15(10-13)20-11-19-14/h8-10,12H,1-7,11H2,(H2,17,18,21)