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

Systemtic Name: ethyl 4-[3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[2-(phenylcarbamoylamino)thiazol-4-yl]propanoylamino]benzoate CAS Name: 4-[[3-[2-[[anilino(oxo)methyl]amino]-4-thiazolyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-[2-(phenylcarbamoylamino)thiazol-4-yl]propanoylamino]benzoic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4S/c1-2-30-20(28)15-8-10-17(11-9-15)23-19(27)13-12-18-14-31-22(25-18)26-21(29)24-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,23,27)(H2,24,25,26,29)