5-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanyl]-2-nitro-benzoic acid

Systemtic Name: 5-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanyl]-2-nitro-benzoic acid Openeye Name: 5-[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]sulfanyl-2-nitro-benzoic acid CAS Name: 5-[[2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-5-thiazolyl]thio]-2-nitrobenzoic acid IUPAC Name: 5-[[2-[[4-(dimethylamino)benzoyl]amino]-1,3-thiazol-5-yl]sulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]thio]-2-nitro-benzoic acid Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H16N4O5S2/c1-22(2)12-5-3-11(4-6-12)17(24)21-19-20-10-16(30-19)29-13-7-8-15(23(27)28)14(9-13)18(25)26/h3-10H,1-2H3,(H,25,26)(H,20,21,24)