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

Systemtic Name: 3-phenylpropyl 4-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c30-23(14-15-25(32)33-16-6-9-19-7-2-1-3-8-19)27-26(35)29-28-24(31)18-34-22-13-12-20-10-4-5-11-21(20)17-22/h1-5,7-8,10-13,17H,6,9,14-16,18H2,(H,28,31)(H2,27,29,30,35)