1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylsulfanylpropyl)-1-[(E)-3-phenylprop-2-enyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylsulfanylpropyl)-1-[(E)-3-phenylprop-2-enyl]thiourea Openeye Name: 1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(methylthio)propyl]-1-[(E)-3-phenylprop-2-enyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylsulfanylpropyl)-1-[(E)-3-phenylprop-2-enyl]thiourea Traditional Name: 1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(methylthio)propyl]thiourea Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N(CC=CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCCNC(=S)N(C/C=C/C1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O2S2/c1-28-16-6-12-23-22(27)24(13-5-9-18-7-3-2-4-8-18)19-10-11-20-21(17-19)26-15-14-25-20/h2-5,7-11,17H,6,12-16H2,1H3,(H,23,27)/b9-5+