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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propan-2-yl-thiourea Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-isopropyl-thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propan-2-ylthiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propan-2-ylthiourea Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-isopropyl-thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)NC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H18N2O2S/c1-9(2)14-13(18)15-10-4-5-11-12(8-10)17-7-3-6-16-11/h4-5,8-9H,3,6-7H2,1-2H3,(H2,14,15,18)