2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-pyridinecarbothioamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)thionicotinamide Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=CC=N3)C(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=CC=N3)C(=S)N)OC1

InChI

InChI=1S/C15H15N3O2S/c16-14(21)11-3-1-6-17-15(11)18-10-4-5-12-13(9-10)20-8-2-7-19-12/h1,3-6,9H,2,7-8H2,(H2,16,21)(H,17,18)