N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenyl-ethanamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenyl-ethanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiazol-2-yl]-N-phenyl-acetamide CAS Name: N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-thiazolyl]-N-phenylacetamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide Traditional Name: N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]thiazol-2-yl]-N-phenyl-acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O3S2/c1-15(24)23(17-6-3-2-4-7-17)21-22-16(14-28-21)13-27-18-8-9-19-20(12-18)26-11-5-10-25-19/h2-4,6-9,12,14H,5,10-11,13H2,1H3