1-(3-methylsulfanylpropyl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thiourea CAS Name: 1-[3-(methylthio)propyl]-3-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthiourea Traditional Name: 1-[3-(methylthio)propyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-thiourea Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1=CC2=C(C=C1)OC3(O2)CCCC3

Isomeric SMILES

CSCCCNC(=S)NC1=CC2=C(C=C1)OC3(O2)CCCC3

InChI

InChI=1S/C16H22N2O2S2/c1-22-10-4-9-17-15(21)18-12-5-6-13-14(11-12)20-16(19-13)7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3,(H2,17,18,21)