methyl 2-[3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate

Systemtic Name: methyl 2-[3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 2-[3-[2-(phenylcarbamoylamino)thiazol-4-yl]propanoylamino]benzoate CAS Name: 2-[[3-[2-[[anilino(oxo)methyl]amino]-4-thiazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate Traditional Name: 2-[3-[2-(phenylcarbamoylamino)thiazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CSC(=N2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CSC(=N2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-29-19(27)16-9-5-6-10-17(16)24-18(26)12-11-15-13-30-21(23-15)25-20(28)22-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,24,26)(H2,22,23,25,28)