1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(2S)-2-ethylhexyl]thiourea Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H28N2O2S/c1-3-5-7-14(4-2)13-19-18(23)20-15-8-9-16-17(12-15)22-11-6-10-21-16/h8-9,12,14H,3-7,10-11,13H2,1-2H3,(H2,19,20,23)/t14-/m0/s1