1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-thiourea

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-thiourea Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1COC2=CC=CC=C2O1

Isomeric SMILES

CCNC(=S)NC[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C12H16N2O2S/c1-2-13-12(17)14-7-9-8-15-10-5-3-4-6-11(10)16-9/h3-6,9H,2,7-8H2,1H3,(H2,13,14,17)/t9-/m0/s1