2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carbothioamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carbothioamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carbothioamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-pyridinecarbothioamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carbothioamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)thioisonicotinamide Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=C3)C(=S)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=C3)C(=S)N

InChI

InChI=1S/C14H13N3O2S/c15-14(20)9-3-4-16-13(7-9)17-10-1-2-11-12(8-10)19-6-5-18-11/h1-4,7-8H,5-6H2,(H2,15,20)(H,16,17)