1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-homoveratryl-thiourea Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C20H23N3O5S/c1-25-15-5-3-13(11-17(15)26-2)7-8-21-20(29)23-22-19(24)14-4-6-16-18(12-14)28-10-9-27-16/h3-6,11-12H,7-10H2,1-2H3,(H,22,24)(H2,21,23,29)