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

Systemtic Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3,4-dimethylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3,4-dimethylphenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C18H18N2O3S/c1-11-3-5-14(9-12(11)2)19-18(24)20-17(21)13-4-6-15-16(10-13)23-8-7-22-15/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,21,24)