phenethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[2-(2-naphthyloxy)propanoylamino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(2-naphthoxy)propanoylamino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)CCC(=O)OCCC1=CC=CC=C1)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H27N3O5S/c1-18(34-22-12-11-20-9-5-6-10-21(20)17-22)25(32)28-29-26(35)27-23(30)13-14-24(31)33-16-15-19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3,(H,28,32)(H2,27,29,30,35)