N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C18H21N3O3S/c1-11-12(2)19-18(20-13(11)3)25-10-17(22)21-14-5-6-15-16(9-14)24-8-4-7-23-15/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,22)