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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylthiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylthiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-thiourea Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O2S/c1-12-11(16)13-8-3-4-9-10(7-8)15-6-2-5-14-9/h3-4,7H,2,5-6H2,1H3,(H2,12,13,16)