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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-prop-2-enylthiourea IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2S/c1-2-6-14-13(18)15-10-4-5-11-12(9-10)17-8-3-7-16-11/h2,4-5,9H,1,3,6-8H2,(H2,14,15,18)