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

Systemtic Name: propyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(1-naphthyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-2-12-27-19(26)11-10-17(24)21-20(28)23-22-18(25)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-9H,2,10-13H2,1H3,(H,22,25)(H2,21,23,24,28)