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

Systemtic Name: methyl 4-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[2-[(4-methoxyphenyl)carbamoylamino]thiazol-4-yl]propanoylamino]benzoate CAS Name: 4-[[3-[2-[[(4-methoxyanilino)-oxomethyl]amino]-4-thiazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-[2-[(4-methoxyphenyl)carbamoylamino]thiazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N4O5S/c1-30-18-10-7-16(8-11-18)24-21(29)26-22-25-17(13-32-22)9-12-19(27)23-15-5-3-14(4-6-15)20(28)31-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,23,27)(H2,24,25,26,29)