N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H18N4O3S/c28-22(15-8-9-19-20(13-15)30-11-10-29-19)27-23(31)24-16-5-3-4-14(12-16)21-25-17-6-1-2-7-18(17)26-21/h1-9,12-13H,10-11H2,(H,25,26)(H2,24,27,28,31)