[2-[1,3-benzothiazol-2-yl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[1,3-benzothiazol-2-yl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methyl-anilino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methylanilino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methylanilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[N-(1,3-benzothiazol-2-yl)-4-methyl-anilino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C[NH+](C)CC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C[NH+](C)CC4=CC=CO4

InChI

InChI=1S/C22H21N3O2S/c1-16-9-11-17(12-10-16)25(22-23-19-7-3-4-8-20(19)28-22)21(26)15-24(2)14-18-6-5-13-27-18/h3-13H,14-15H2,1-2H3/p+1