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

Systemtic Name: N-[[4-(thiophen-2-ylcarbonylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(2-thenoylamino)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O4S2/c25-19(13-3-8-16-17(12-13)28-10-9-27-16)24-21(29)23-15-6-4-14(5-7-15)22-20(26)18-2-1-11-30-18/h1-8,11-12H,9-10H2,(H,22,26)(H2,23,24,25,29)