butyl 4-[2-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(2-naphthylamino)ethyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H26N2O4S/c1-2-3-14-31-25(30)19-9-11-21(12-10-19)26-23(28)16-32-17-24(29)27-22-13-8-18-6-4-5-7-20(18)15-22/h4-13,15H,2-3,14,16-17H2,1H3,(H,26,28)(H,27,29)