N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carbohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carbohydrazide Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C24H24N4O4S/c1-15-12-16(2)26-24(25-15)33-14-17-4-6-18(7-5-17)22(29)27-28-23(30)19-8-9-20-21(13-19)32-11-3-10-31-20/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,27,29)(H,28,30)