1-(1,3-benzodioxol-5-yl)-3-(3-ethanoylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea CAS Name: 1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea IUPAC Name: 1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea Traditional Name: 1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O3S/c1-10(19)11-3-2-4-12(7-11)17-16(22)18-13-5-6-14-15(8-13)21-9-20-14/h2-8H,9H2,1H3,(H2,17,18,22)