1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethylthiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethylthiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethyl-thiourea Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCNC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C12H16N2O2S/c1-2-13-12(17)14-9-4-5-10-11(8-9)16-7-3-6-15-10/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14,17)