N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methyl-6-oxo-hexahydropyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-keto-6-methyl-hexahydropyrimidin-2-yl)thio]acetamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1CC(=O)NC(N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H21N3O4S/c1-10-7-14(20)19-16(17-10)24-9-15(21)18-11-3-4-12-13(8-11)23-6-2-5-22-12/h3-4,8,10,16-17H,2,5-7,9H2,1H3,(H,18,21)(H,19,20)