1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-[3-(methylthio)propyl]thiourea Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CSCCCNC(=S)NNC(=O)[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H19N3O3S2/c1-22-8-4-7-15-14(21)17-16-13(18)12-9-19-10-5-2-3-6-11(10)20-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,16,18)(H2,15,17,21)/t12-/m1/s1