3-phenylpropyl 4-oxidanylidene-4-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[2-(2-phenylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C28H29N3O5S/c32-25(17-18-27(34)35-19-9-12-21-10-3-1-4-11-21)29-28(37)31-30-26(33)20-36-24-16-8-7-15-23(24)22-13-5-2-6-14-22/h1-8,10-11,13-16H,9,12,17-20H2,(H,30,33)(H2,29,31,32,37)