2-[[3-oxidanylidene-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-oxidanylidene-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid Openeye Name: 2-[[3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[1,3-dioxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]amino]benzoic acid IUPAC Name: 2-[[3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid Traditional Name: 2-[[3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-keto-propanoyl]amino]benzoic acid Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H16N4O4S/c1-8(2)13-18-19-15(24-13)17-12(21)7-11(20)16-10-6-4-3-5-9(10)14(22)23/h3-6,8H,7H2,1-2H3,(H,16,20)(H,22,23)(H,17,19,21)