6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-pyridinecarbothioamide IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carbothioamide Traditional Name: 6-(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=NC=C(C=C3)C(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=NC=C(C=C3)C(=S)N)OC1

InChI

InChI=1S/C15H15N3O2S/c16-15(21)10-2-5-14(17-9-10)18-11-3-4-12-13(8-11)20-7-1-6-19-12/h2-5,8-9H,1,6-7H2,(H2,16,21)(H,17,18)