N-[(3-ethanoylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(3-ethanoylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H16N2O4S/c1-11(21)12-3-2-4-14(9-12)19-18(25)20-17(22)13-5-6-15-16(10-13)24-8-7-23-15/h2-6,9-10H,7-8H2,1H3,(H2,19,20,22,25)