2-methoxyethyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(1-naphthyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C20H23N3O5S/c1-27-11-12-28-19(26)10-9-17(24)21-20(29)23-22-18(25)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,22,25)(H2,21,23,24,29)