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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[2-(2-phenylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O5S/c31-24(15-16-26(33)34-18-17-20-9-3-1-4-10-20)28-27(36)30-29-25(32)19-35-23-14-8-7-13-22(23)21-11-5-2-6-12-21/h1-14H,15-19H2,(H,29,32)(H2,28,30,31,36)