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

Systemtic Name: 3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea Openeye Name: 3-butyl-1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea IUPAC Name: 3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(E)-3-phenylprop-2-enyl]thiourea Traditional Name: 3-butyl-1-[(E)-cinnamyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-2-3-13-23-22(27)24(14-7-10-18-8-5-4-6-9-18)19-11-12-20-21(17-19)26-16-15-25-20/h4-12,17H,2-3,13-16H2,1H3,(H,23,27)/b10-7+