N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinoxalin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinoxalin-2-ylsulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinoxalin-2-ylsulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-quinoxalinylthio)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinoxalin-2-ylsulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(quinoxalin-2-ylthio)acetamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N=C3)OC1

InChI

InChI=1S/C19H17N3O3S/c23-18(12-26-19-11-20-14-4-1-2-5-15(14)22-19)21-13-6-7-16-17(10-13)25-9-3-8-24-16/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,23)