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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenethyl-thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenethyl-thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenethylthiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenethylthiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenethyl-thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=S)NCCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=S)NCCC3=CC=CC=C3)OC1

InChI

InChI=1S/C18H20N2O2S/c23-18(19-10-9-14-5-2-1-3-6-14)20-15-7-8-16-17(13-15)22-12-4-11-21-16/h1-3,5-8,13H,4,9-12H2,(H2,19,20,23)