propyl 4-[[3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoyl]amino]benzoate CAS Name: 4-[[[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoyl]amino]benzoate Traditional Name: 4-[[3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoyl]amino]benzoic acid propyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=CN3C

InChI

InChI=1S/C22H23N5O4S/c1-3-11-31-21(30)15-7-9-17(10-8-15)25-20(29)16-5-4-6-18(12-16)24-19(28)13-32-22-26-23-14-27(22)2/h4-10,12,14H,3,11,13H2,1-2H3,(H,24,28)(H,25,29)