phenethyl 4-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H25N3O5S/c29-22(12-13-24(31)32-15-14-18-6-2-1-3-7-18)26-25(34)28-27-23(30)17-33-21-11-10-19-8-4-5-9-20(19)16-21/h1-11,16H,12-15,17H2,(H,27,30)(H2,26,28,29,34)