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

Systemtic Name: methyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(1-naphthyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-25-17(24)10-9-15(22)19-18(26)21-20-16(23)11-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-11H2,1H3,(H,20,23)(H2,19,21,22,26)