[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]-[(R)-(4-isopropylphenyl)-(2-thienyl)methyl]ammonium CAS Name: [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-[(R)-p-cumenyl(2-thienyl)methyl]ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H25N3O3S/c1-15(2)16-7-9-17(10-8-16)21(19-6-4-12-29-19)23-14-20(26)25-22(27)24-13-18-5-3-11-28-18/h3-12,15,21,23H,13-14H2,1-2H3,(H2,24,25,26,27)/p+1/t21-/m1/s1