3-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazinamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4)OC1

InChI

InChI=1S/C21H16N4O3S/c26-20(24-13-6-7-15-16(12-13)28-11-3-10-27-15)18-19(23-9-8-22-18)21-25-14-4-1-2-5-17(14)29-21/h1-2,4-9,12H,3,10-11H2,(H,24,26)