N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-ethanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-ethanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methyl-acetamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methylacetamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylacetamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-methyl-acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O3S2/c1-14(21-22-16-6-3-4-7-19(16)28-21)23(2)20(24)13-27-15-8-9-17-18(12-15)26-11-5-10-25-17/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3