N'-[2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanylethanoyl]-4-methyl-benzohydrazide

Systemtic Name: N'-[2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanylethanoyl]-4-methyl-benzohydrazide Openeye Name: N'-[2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanylacetyl]-4-methyl-benzohydrazide CAS Name: N'-[2-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]-1-oxoethyl]-4-methylbenzohydrazide IUPAC Name: N'-[2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanylacetyl]-4-methylbenzohydrazide Traditional Name: N'-[2-[(1-benzhydrylazetidin-1-ium-3-yl)thio]acetyl]-4-methyl-benzohydrazide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-19-12-14-22(15-13-19)26(31)28-27-24(30)18-32-23-16-29(17-23)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23,25H,16-18H2,1H3,(H,27,30)(H,28,31)/p+1