ethyl 4-[2-[[4-methyl-5-[1-[(3-methylphenyl)carbonylamino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[4-methyl-5-[1-[(3-methylphenyl)carbonylamino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[4-methyl-5-[1-[(3-methylbenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-methyl-5-[1-[[(3-methylphenyl)-oxomethyl]amino]ethyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[4-methyl-5-[1-[(3-methylbenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-methyl-5-[1-(m-toluoylamino)ethyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H27N5O4S/c1-5-33-23(32)17-9-11-19(12-10-17)26-20(30)14-34-24-28-27-21(29(24)4)16(3)25-22(31)18-8-6-7-15(2)13-18/h6-13,16H,5,14H2,1-4H3,(H,25,31)(H,26,30)