2-[[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C24H19N3O4S2 MolecularWeight: 477.55536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H19N3O4S2/c1-14(21(28)27-24-26-19-8-4-5-9-20(19)33-24)32-16-12-10-15(11-13-16)25-22(29)17-6-2-3-7-18(17)23(30)31/h2-14H,1H3,(H,25,29)(H,30,31)(H,26,27,28)