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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]-3-propyl-thiourea Openeye Name: 1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]-3-propylthiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]-3-propylthiourea Traditional Name: 1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-thiourea Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-2-12-22-21(26)23(13-6-9-17-7-4-3-5-8-17)18-10-11-19-20(16-18)25-15-14-24-19/h3-11,16H,2,12-15H2,1H3,(H,22,26)/b9-6+