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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiourea CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiourea IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiourea Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiourea Formula: C10H12N2O2S MolecularWeight: 224.27948

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)N)OC1

InChI

InChI=1S/C10H12N2O2S/c11-10(15)12-7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2,(H3,11,12,15)