1-(1,3-benzodioxol-5-yl)-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea CAS Name: 1-(4-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(1,3-benzodioxol-5-yl)thiourea Traditional Name: 1-(4-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=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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