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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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