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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethyl-1-methyl-thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(C)CC1COC2=CC=CC=C2O1

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-3-14-13(18)15(2)8-10-9-16-11-6-4-5-7-12(11)17-10/h4-7,10H,3,8-9H2,1-2H3,(H,14,18)/t10-/m0/s1