1-(6-ethanoyl-1,3-benzodioxol-5-yl)thiourea

Systemtic Name: 1-(6-ethanoyl-1,3-benzodioxol-5-yl)thiourea Openeye Name: (6-acetyl-1,3-benzodioxol-5-yl)thiourea CAS Name: (6-acetyl-1,3-benzodioxol-5-yl)thiourea IUPAC Name: (6-acetyl-1,3-benzodioxol-5-yl)thiourea Traditional Name: (6-acetyl-1,3-benzodioxol-5-yl)thiourea Formula: C10H10N2O3S MolecularWeight: 238.263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=S)N)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=S)N)OCO2

InChI

InChI=1S/C10H10N2O3S/c1-5(13)6-2-8-9(15-4-14-8)3-7(6)12-10(11)16/h2-3H,4H2,1H3,(H3,11,12,16)