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

Systemtic Name: 2-[[4-[1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[1-methyl-2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[1-oxo-1-(2-thiazolylamino)propan-2-yl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-1-methyl-2-(thiazol-2-ylamino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CS1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NC=CS1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H17N3O4S2/c1-12(17(24)23-20-21-10-11-28-20)29-14-8-6-13(7-9-14)22-18(25)15-4-2-3-5-16(15)19(26)27/h2-12H,1H3,(H,22,25)(H,26,27)(H,21,23,24)