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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-[(E)-3-phenylprop-2-enyl]thiourea Openeye Name: 1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-[(E)-3-phenylprop-2-enyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-1-[(E)-3-phenylprop-2-enyl]thiourea Traditional Name: 1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-thiourea Formula: C20H22N2O2S MolecularWeight: 354.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-2-21-20(25)22(12-6-9-16-7-4-3-5-8-16)17-10-11-18-19(15-17)24-14-13-23-18/h3-11,15H,2,12-14H2,1H3,(H,21,25)/b9-6+