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

Systemtic Name: methyl 4-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H19N3O5S/c1-25-17(24)9-8-15(22)19-18(27)21-20-16(23)11-26-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H2,19,21,22,27)