N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-(8-quinolylthio)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=CC=CC2=C1N=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C/C(=N/NC(=O)CSC1=CC=CC2=C1N=CC=C2)/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21N3O3S/c1-15(17-8-9-18-19(13-17)28-12-4-11-27-18)24-25-21(26)14-29-20-7-2-5-16-6-3-10-23-22(16)20/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,25,26)/b24-15-